
 SCHEMBL2196066

 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.3170   -0.9531    0.1340 C   0  0  0  0  0
   -1.1174   -1.8259   -0.2291 C   0  0  0  0  0
    0.0138   -0.8617   -0.0314 C   0  0  0  0  0
   -0.4349    0.4718    0.0058 C   0  0  0  0  0
   -1.9235    0.4894   -0.2106 C   0  0  0  0  0
    0.4959    1.5087    0.0713 C   0  0  0  0  0
    1.8641    1.1821    0.1390 C   0  0  0  0  0
    2.2879   -0.1544    0.1219 C   0  0  0  0  0
    1.3603   -1.1866    0.0245 C   0  0  0  0  0
    0.1209    2.8724    0.0705 N   0  0  0  0  0
   -0.9669    3.4540    0.7020 C   0  0  0  0  0
   -1.0177    4.7662    0.5503 N   0  0  0  0  0
    0.0750    5.0451   -0.1916 C   0  0  0  0  0
    0.7945    3.9259   -0.5139 C   0  0  0  0  0
    1.9060    3.9944   -1.3343 N   0  0  0  0  0
    2.3503    5.2650   -1.8275 C   0  0  0  0  0
    3.3324    5.2958   -2.5442 O   0  0  0  0  0
    1.5541    6.4536   -1.4213 C   0  0  0  0  0
    0.4660    6.3231   -0.6434 C   0  0  0  0  0
   -2.5030   -1.0271    1.2147 H   0  0  0  0  0
   -3.2341   -1.2687   -0.3731 H   0  0  0  0  0
   -1.0428   -2.6988    0.4253 H   0  0  0  0  0
   -1.1604   -2.1434   -1.2761 H   0  0  0  0  0
   -2.4669    1.1755    0.4378 H   0  0  0  0  0
   -2.1431    0.7158   -1.2594 H   0  0  0  0  0
    2.6293    1.9451    0.2649 H   0  0  0  0  0
    3.3483   -0.3901    0.1889 H   0  0  0  0  0
    1.6874   -2.2222   -0.0116 H   0  0  0  0  0
   -1.6541    2.8874    1.3152 H   0  0  0  0  0
    2.4012    3.1678   -1.6411 H   0  0  0  0  0
    1.8936    7.4118   -1.7934 H   0  0  0  0  0
   -0.1244    7.1862   -0.3522 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  9  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2196066

>  <PubChem CID>
58345671

>  <Formula>
C15H13N3O

>  <Molecular Weight>
251.289000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=C(C1)C(=CC=C2)N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
C1CC2=C(C1)C(=CC=C2)N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C15H13N3O/c19-14-8-7-12-15(17-14)18(9-16-12)13-6-2-4-10-3-1-5-11(10)13/h2,4,6-9H,1,3,5H2,(H,17,19)

>  <InChI Key>
KBMPDUWXSDPYCG-UHFFFAOYSA-N

