
 CHEMBL3810339

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.5950   -0.0706   -2.3647 C   0  0  0  0  0
    2.9558    0.1540   -0.9046 C   0  0  0  0  0
    3.3995    1.5593   -0.6618 C   0  0  0  0  0
    4.6465    1.9822   -0.7860 N   0  0  0  0  0
    4.6170    3.3253   -0.5030 C   0  0  0  0  0
    3.3240    3.7339   -0.2151 C   0  0  0  0  0
    2.5669    2.5927   -0.2804 N   0  0  0  0  0
    1.1370    2.5423   -0.0280 C   0  0  0  0  0
    0.8153    2.1798    1.4042 C   0  0  0  0  0
    0.0747    1.0245    1.6990 C   0  0  0  0  0
   -0.2432    0.7026    3.0205 C   0  0  0  0  0
    0.1694    1.5293    4.0625 C   0  0  0  0  0
    0.8969    2.6835    3.7859 C   0  0  0  0  0
    1.2118    3.0090    2.4654 C   0  0  0  0  0
    2.8977    4.9739    0.0930 N   0  0  0  0  0
    3.8995    5.8839    0.1343 C   0  0  0  0  0
    5.2423    5.5939   -0.1345 C   0  0  0  0  0
    5.6402    4.2854   -0.4652 C   0  0  0  0  0
    7.0821    3.9711   -0.7160 C   0  0  0  0  0
    3.4978    7.2957    0.4560 C   0  0  0  0  0
    2.2935   -1.1104   -2.5255 H   0  0  0  0  0
    3.4468    0.1406   -3.0205 H   0  0  0  0  0
    1.7662    0.5751   -2.6759 H   0  0  0  0  0
    3.7720   -0.5246   -0.6314 H   0  0  0  0  0
    2.1079   -0.1099   -0.2666 H   0  0  0  0  0
    0.7006    1.8239   -0.7306 H   0  0  0  0  0
    0.7016    3.5185   -0.2715 H   0  0  0  0  0
   -0.2647    0.3662    0.9028 H   0  0  0  0  0
   -0.8166   -0.1950    3.2371 H   0  0  0  0  0
   -0.0781    1.2773    5.0901 H   0  0  0  0  0
    1.2179    3.3347    4.5956 H   0  0  0  0  0
    1.7713    3.9239    2.2738 H   0  0  0  0  0
    5.9863    6.3849   -0.0838 H   0  0  0  0  0
    7.5022    4.6666   -1.4490 H   0  0  0  0  0
    7.2061    2.9562   -1.1058 H   0  0  0  0  0
    7.6485    4.0511    0.2170 H   0  0  0  0  0
    4.2558    7.7867    1.0739 H   0  0  0  0  0
    2.5554    7.3082    1.0126 H   0  0  0  0  0
    3.3651    7.8635   -0.4691 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 19 34  1  0  0  0
 19 35  1  0  0  0
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 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3810339

>  <PubChem CID>
58968580

>  <Formula>
C17H19N3

>  <Molecular Weight>
265.360000

>  <IUPAC Name>
3-benzyl-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=CC=C3)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=CC=C3)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C17H19N3/c1-4-15-19-16-12(2)10-13(3)18-17(16)20(15)11-14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3

>  <InChI Key>
OPTOIDGYGBOBBW-UHFFFAOYSA-N

