
 SCHEMBL2191383

 28 31  0  0  0  0  0  0  0  0999 V2000
   -2.3563   -0.5656   -0.0705 C   0  0  0  0  0
   -1.8267    0.7744    0.0212 O   0  0  0  0  0
   -0.4919    0.5242    0.0363 C   0  0  0  0  0
   -0.2075   -0.8166   -0.0396 C   0  0  0  0  0
   -1.3297   -1.5812   -0.1056 O   0  0  0  0  0
    1.0885   -1.2921   -0.0426 C   0  0  0  0  0
    2.1319   -0.3555    0.0499 C   0  0  0  0  0
    1.8337    1.0253    0.1095 C   0  0  0  0  0
    0.5055    1.4703    0.1065 C   0  0  0  0  0
    3.4798   -0.8031    0.0546 N   0  0  0  0  0
    3.9532   -2.0071   -0.4530 C   0  0  0  0  0
    5.2659   -2.1261   -0.3737 N   0  0  0  0  0
    5.6546   -0.9853    0.2324 C   0  0  0  0  0
    4.6030   -0.1636    0.5451 C   0  0  0  0  0
    4.7968    0.9935    1.2793 N   0  0  0  0  0
    6.1211    1.3782    1.6752 C   0  0  0  0  0
    6.2550    2.4005    2.3195 O   0  0  0  0  0
    7.2287    0.4744    1.2702 C   0  0  0  0  0
    6.9795   -0.6555    0.5874 C   0  0  0  0  0
   -3.0013   -0.7485    0.7966 H   0  0  0  0  0
   -2.9589   -0.6438   -0.9827 H   0  0  0  0  0
    1.2451   -2.3648   -0.0829 H   0  0  0  0  0
    2.6076    1.7865    0.0880 H   0  0  0  0  0
    0.2623    2.5277    0.1373 H   0  0  0  0  0
    3.3031   -2.7424   -0.9107 H   0  0  0  0  0
    4.0336    1.5664    1.6102 H   0  0  0  0  0
    8.2269    0.7691    1.5671 H   0  0  0  0  0
    7.7824   -1.3279    0.3015 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 25  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 26  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 27  1  0  0  0
 19 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191383

>  <PubChem CID>
58345750

>  <Formula>
C13H9N3O3

>  <Molecular Weight>
255.233000

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

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1OC2=C(O1)C=C(C=C2)N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
C1OC2=C(O1)C=C(C=C2)N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C13H9N3O3/c17-12-4-2-9-13(15-12)16(6-14-9)8-1-3-10-11(5-8)19-7-18-10/h1-6H,7H2,(H,15,17)

>  <InChI Key>
HRWNGQVPXNVNFZ-UHFFFAOYSA-N

