69195491
  -OEChem-04262409062D

 47 50  0     0  0  0  0  0  0999 V2000
    4.6783   -1.7553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.3647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  1 39  1  0  0  0  0
  2 14  2  0  0  0  0
  2 23  1  0  0  0  0
  3 18  2  0  0  0  0
  3 22  1  0  0  0  0
  4 18  1  0  0  0  0
  4 25  2  0  0  0  0
  5 23  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 15  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 31  1  0  0  0  0
 12 16  2  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  2  0  0  0  0
 17 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 21 26  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  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
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69195491

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
458

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/gAAHAAQAAAADAjBHwQ/8L7JkACgAzZnZACCgC2xEqAJ2aA4dJiIaOLAmZGUIAhokALIyCcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[2-[2-(1H-imidazo[4,5-b]pyridin-7-yl)-5-methyl-phenyl]ethyl]-4-methyl-pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
6-[2-[2-(1H-imidazo[4,5-b]pyridin-7-yl)-5-methylphenyl]ethyl]-4-methyl-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[2-[2-(1<I>H</I>-imidazo[4,5-b]pyridin-7-yl)-5-methylphenyl]ethyl]-4-methylpyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
6-[2-[2-(1H-imidazo[4,5-b]pyridin-7-yl)-5-methylphenyl]ethyl]-4-methylpyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[2-[2-(1H-imidazo[4,5-b]pyridin-7-yl)-5-methyl-phenyl]ethyl]-4-methyl-pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6-[2-[2-(1H-imidazo[4,5-b]pyridin-7-yl)-5-methyl-phenyl]ethyl]-4-methyl-2-pyridyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H21N5/c1-13-3-6-17(18-7-8-23-21-20(18)24-12-25-21)15(9-13)4-5-16-10-14(2)11-19(22)26-16/h3,6-12H,4-5H2,1-2H3,(H2,22,26)(H,23,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ASYMRLLYBSZQMG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
343.17969569

> <PUBCHEM_MOLECULAR_FORMULA>
C21H21N5

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)C2=C3C(=NC=C2)N=CN3)CCC4=NC(=CC(=C4)C)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)C2=C3C(=NC=C2)N=CN3)CCC4=NC(=CC(=C4)C)N

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.17969569

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  15  8
1  25  8
10  15  8
10  17  8
11  13  8
12  16  8
13  16  8
14  19  8
15  18  8
17  22  8
19  21  8
2  14  8
2  23  8
21  24  8
23  24  8
3  18  8
3  22  8
4  18  8
4  25  8
6  11  8
6  8  8
8  12  8

$$$$