67311556
  -OEChem-05072402402D

 40 43  0     0  0  0  0  0  0999 V2000
    7.9244   -0.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.2107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.2504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673   -2.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415    1.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7920    1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0972    1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9982    2.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3034    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    3.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273   -0.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    0.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.9658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819    1.4059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -2.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2535    1.0639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    1.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    2.6490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8420    3.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818    3.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739   -2.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532   -3.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  2  0  0  0  0
  4 11  2  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  2  0  0  0  0
  6 20  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 23  2  0  0  0  0
 19 33  1  0  0  0  0
 21 25  2  0  0  0  0
 21 34  1  0  0  0  0
 22 25  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67311556

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
467

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/gAAHgAQAAAADAjBnwQ98L9MEACoAzd3dACCgC03EqAJ2CG4dNiIaPLA3fGUJQhogALIyScciMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-benzyl-4-imidazo[4,5-b]pyridin-3-yl-pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-imidazo[4,5-b]pyridinyl)-3-(phenylmethyl)-2-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-imidazo[4,5-b]pyridin-3-yl-3-(phenylmethyl)pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-benzyl-4-imidazo[4,5-b]pyridin-3-yl-picolinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15N5O/c20-18(25)17-14(11-13-5-2-1-3-6-13)16(8-10-21-17)24-12-23-15-7-4-9-22-19(15)24/h1-10,12H,11H2,(H2,20,25)

> <PUBCHEM_IUPAC_INCHIKEY>
DPFRYFPQQBWISM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
329.12766012

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
329.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CC2=C(C=CN=C2C(=O)N)N3C=NC4=C3N=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CC2=C(C=CN=C2C(=O)N)N3C=NC4=C3N=CC=C4

> <PUBCHEM_CACTVS_TPSA>
86.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.12766012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
12  17  8
12  18  8
13  16  8
14  19  8
17  21  8
18  22  8
19  23  8
2  10  8
2  15  8
21  25  8
22  25  8
23  24  8
3  14  8
3  15  8
4  11  8
4  16  8
5  10  8
5  24  8
7  11  8
7  8  8
8  13  8

$$$$