69813693
  -OEChem-04262422482D

 30 33  0     0  0  0  0  0  0999 V2000
    6.2619   -1.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574    2.4019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292    2.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8322    1.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.9691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.9472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -0.6132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5072    2.9691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3692    0.8939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  2  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  3  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69813693

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
436

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgB/AAAHgAYAAAADAjBngQ98PLrEACqAzd3dACShCkxgiAZ+SE4ZNiIIPLA3dGEpAhonQLIyacciAAOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1H-indazol-6-ylmethylene)-1H-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(1<I>H</I>-indazol-6-ylmethylidene)-1<I>H</I>-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1H-indazol-6-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1H-indazol-6-ylmethylene)-1H-pyrrolo[2,3-b]pyridin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10N4O/c20-15-12(11-2-1-5-16-14(11)18-15)6-9-3-4-10-8-17-19-13(10)7-9/h1-8H,(H,17,19)(H,16,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
FWSSMHXWOLSPAA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
262.08546096

> <PUBCHEM_MOLECULAR_FORMULA>
C15H10N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
262.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(NC(=O)C2=CC3=CC4=C(C=C3)C=NN4)N=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(NC(=O)C2=CC3=CC4=C(C=C3)C=NN4)N=C1

> <PUBCHEM_CACTVS_TPSA>
70.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.08546096

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  14  8
13  16  8
13  18  8
15  16  8
17  19  8
19  20  8
3  11  8
3  5  8
4  10  8
4  20  8
5  18  8
6  9  1
7  10  8
7  17  8
8  14  8
8  15  8

$$$$