24958200
  -OEChem-09272320532D

 44 47  0     1  0  0  0  0  0999 V2000
    4.2690   -1.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988    1.7245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    0.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    0.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988    0.8585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2988   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2988    1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7988    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7988    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988    1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152    1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888    0.3216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7162   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4065   -0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4065    2.3351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7162    1.9366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1912   -0.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8814   -0.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2738    0.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2738    1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6088    2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088   -0.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888    2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9888   -0.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    2.2526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  2  0  0  0  0
  5 24  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  1  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24958200

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
449

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAYAAAADQjBngQ8wPLIAACqAzV3VACSBCA1ggAYmKEoZNgIIPrA1dGEpYhgmADIyccYicCOiAACAAACAAAQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[(3S)-3-piperidyl]phenyl]indazole-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[(3S)-3-piperidinyl]phenyl]-7-indazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[(3<I>S</I>)-piperidin-3-yl]phenyl]indazole-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[(3S)-3-piperidyl]phenyl]indazole-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PCHKPVIQAHNQLW-CQSZACIVSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
320.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C19H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
320.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
72.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
320.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  15  8
13  16  8
14  15  8
14  16  8
17  18  8
17  19  8
17  21  8
19  20  8
20  22  8
21  23  8
22  23  8
3  18  8
3  4  8
4  19  8
6  11  5

$$$$