1530
  -OEChem-05052411412D

 29 31  0     0  0  0  0  0  0999 V2000
    7.2764    0.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.5547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1763    0.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7796    1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    1.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700   -1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700   -0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 18  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHAAQAAAADAjBHwQ/8L9MEACgAzZnZACCgC0xEqAJ2CA4dJiIaOLAmZGUIAhogALIyCcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-6-phenyl-2-imidazo[4,5-b]pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
UQVKZNNCIHJZLS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
224.106196400

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N4

> <PUBCHEM_MOLECULAR_WEIGHT>
224.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
224.106196400

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
1  5  8
1  9  8
10  13  8
10  14  8
13  15  8
14  16  8
15  17  8
16  17  8
2  6  8
2  9  8
3  12  8
3  6  8
5  6  8
5  8  8
7  12  8
7  8  8

$$$$