69376833
  -OEChem-05072408022D

 46 50  0     0  0  0  0  0  0999 V2000
    5.9233    2.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164   -0.6370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    1.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336    1.3902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7990   -2.4506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    2.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912   -0.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0882   -1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097   -1.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3874    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3874    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9233    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7560   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4454   -2.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3336    2.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4669   -3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    1.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5942   -0.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556    0.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    0.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3627   -1.9103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7893    0.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1184    3.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    3.8149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262    0.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    0.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7282    3.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -3.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262    3.5889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2743   -3.7842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223    1.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    3.8149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9223    3.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  3 35  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 38  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  2  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  3  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 25  1  0  0  0  0
 18 33  1  0  0  0  0
 19 24  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 27  1  0  0  0  0
 22 39  1  0  0  0  0
 23 28  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  2  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69376833

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
616

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB/gAAHgAYAAAADAjBnwQ98P7rkACqAzd3dACShCmxgqAZ+aE4ZNiIKPLA3dGEpAhonALIyacYiICOiAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1H-indazol-6-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1H-indazol-6-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1<I>H</I>-indazol-6-yl)-2-phenyl-3-(1<I>H</I>-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(1H-indazol-6-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(1H-indazol-6-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1H-indazol-6-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H17N5O/c29-23(27-18-9-8-16-14-26-28-21(16)12-18)20(15-5-2-1-3-6-15)11-17-13-25-22-19(17)7-4-10-24-22/h1-14H,(H,24,25)(H,26,28)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
SLVCVECECSPEKK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
379.14331018

> <PUBCHEM_MOLECULAR_FORMULA>
C23H17N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
379.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=CC2=CNC3=C2C=CC=N3)C(=O)NC4=CC5=C(C=C4)C=NN5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=CC2=CNC3=C2C=CC=N3)C(=O)NC4=CC5=C(C=C4)C=NN5

> <PUBCHEM_CACTVS_TPSA>
86.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.14331018

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
13  18  8
13  20  8
14  16  8
14  18  8
15  22  8
15  23  8
16  21  8
16  25  8
19  24  8
2  11  8
2  12  8
20  21  8
22  27  8
23  28  8
24  26  8
27  29  8
28  29  8
4  14  8
4  6  8
5  11  8
5  26  8
6  25  8
7  12  8
7  8  8
8  11  8
8  19  8
9  10  1

$$$$