24747026
  -OEChem-05142414522D

 35 37  0     0  0  0  0  0  0999 V2000
    6.0812   -0.0556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    1.5538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704   -1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    0.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811   -2.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -0.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596   -2.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0168   -0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3274   -1.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713   -1.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    0.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    0.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670   -2.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456    0.1213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.2860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8522   -2.9584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4308   -0.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9341   -1.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24747026

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzgAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHAAQAAAADAjBHwQz8L9MEACgAyZiZACCgC0hEqAJ2CA4dJiIaOLA2dGUJAhokALIyCcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-benzyl-2,5-dimethyl-imidazo[4,5-b]pyridin-6-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2,5-dimethyl-3-(phenylmethyl)-6-imidazo[4,5-b]pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-amine

> <PUBCHEM_IUPAC_NAME>
3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,5-dimethyl-3-(phenylmethyl)imidazo[4,5-b]pyridin-6-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-benzyl-2,5-dimethyl-imidazo[4,5-b]pyridin-6-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16N4/c1-10-13(16)8-14-15(17-10)19(11(2)18-14)9-12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PPZZGWPNQTVYCV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
252.137496527

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16N4

> <PUBCHEM_MOLECULAR_WEIGHT>
252.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=C(C=C1N)N=C(N2CC3=CC=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(C=C1N)N=C(N2CC3=CC=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
56.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.137496527

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  7  8
10  12  8
11  12  8
14  17  8
15  18  8
17  19  8
18  19  8
2  7  8
2  8  8
3  11  8
3  5  8
5  8  8
8  10  8
9  14  8
9  15  8

$$$$