
 SCHEMBL2193205

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.9264   -0.4697   -0.6351 C   0  0  0  0  0
    2.3907   -0.2647   -0.3430 C   0  0  0  0  0
    3.0075    0.9998   -0.1885 C   0  0  0  0  0
    4.4207    1.1358    0.0065 C   0  0  0  0  0
    5.1168    2.3592    0.2121 C   0  0  0  0  0
    6.5013    2.4040    0.3978 C   0  0  0  0  0
    7.2365    1.2291    0.3997 C   0  0  0  0  0
    6.5852    0.0105    0.2307 C   0  0  0  0  0
    5.1940   -0.0503    0.0456 C   0  0  0  0  0
    4.5730   -1.2982   -0.0839 C   0  0  0  0  0
    3.1954   -1.4054   -0.2648 C   0  0  0  0  0
    2.2065    2.1615   -0.2476 N   0  0  0  0  0
    2.3313    3.2185   -1.1349 C   0  0  0  0  0
    1.4131    4.1516   -0.9500 N   0  0  0  0  0
    0.6810    3.6832    0.0870 C   0  0  0  0  0
    1.1359    2.4794    0.5528 C   0  0  0  0  0
    0.5705    1.8585    1.6485 N   0  0  0  0  0
   -0.5493    2.4649    2.3062 C   0  0  0  0  0
   -1.0376    1.8969    3.2636 O   0  0  0  0  0
   -1.0245    3.7624    1.7507 C   0  0  0  0  0
   -0.4187    4.3278    0.6919 C   0  0  0  0  0
    0.7639   -1.4119   -1.1709 H   0  0  0  0  0
    0.5308    0.3191   -1.2820 H   0  0  0  0  0
    0.3530   -0.5084    0.2950 H   0  0  0  0  0
    4.5944    3.3121    0.2466 H   0  0  0  0  0
    7.0016    3.3584    0.5455 H   0  0  0  0  0
    8.3139    1.2568    0.5433 H   0  0  0  0  0
    7.1799   -0.9015    0.2511 H   0  0  0  0  0
    5.1641   -2.2128   -0.0478 H   0  0  0  0  0
    2.7621   -2.3991   -0.3753 H   0  0  0  0  0
    3.0952    3.2332   -1.9037 H   0  0  0  0  0
    0.9384    0.9921    2.0204 H   0  0  0  0  0
   -1.8707    4.2176    2.2495 H   0  0  0  0  0
   -0.7582    5.2769    0.2892 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 21  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 33  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193205

>  <PubChem CID>
58345769

>  <Formula>
C17H13N3O

>  <Molecular Weight>
275.311000

>  <IUPAC Name>
3-(2-methylnaphthalen-1-yl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2C=C1)N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2C=C1)N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C17H13N3O/c1-11-6-7-12-4-2-3-5-13(12)16(11)20-10-18-14-8-9-15(21)19-17(14)20/h2-10H,1H3,(H,19,21)

>  <InChI Key>
JHSLJBVETGJDKR-UHFFFAOYSA-N

