
 SCHEMBL2191146

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4330    1.0275   -0.0013 C   0  0  0  0  0
    2.5795   -0.3497   -0.0486 C   0  0  0  0  0
    1.4495   -1.1720   -0.0325 C   0  0  0  0  0
    0.1315   -0.6451    0.0517 C   0  0  0  0  0
    0.0110    0.7694    0.0501 C   0  0  0  0  0
    1.1567    1.5818    0.0393 C   0  0  0  0  0
   -1.2554    1.3726    0.0416 C   0  0  0  0  0
   -2.4183    0.6090    0.0274 C   0  0  0  0  0
   -2.3346   -0.7773    0.0441 C   0  0  0  0  0
   -1.0772   -1.4076    0.0757 C   0  0  0  0  0
   -1.0688   -2.8202    0.1881 N   0  0  0  0  0
   -0.2810   -3.5934    1.0288 C   0  0  0  0  0
   -0.5537   -4.8843    0.9521 N   0  0  0  0  0
   -1.5609   -4.9469    0.0543 C   0  0  0  0  0
   -1.9081   -3.7173   -0.4373 C   0  0  0  0  0
   -2.8765   -3.5741   -1.4136 N   0  0  0  0  0
   -3.5663   -4.7310   -1.9048 C   0  0  0  0  0
   -4.4160   -4.5772   -2.7622 O   0  0  0  0  0
   -3.1731   -6.0409   -1.3199 C   0  0  0  0  0
   -2.2078   -6.1201   -0.3878 C   0  0  0  0  0
    3.3080    1.6727   -0.0145 H   0  0  0  0  0
    3.5730   -0.7886   -0.1082 H   0  0  0  0  0
    1.6309   -2.2402   -0.1185 H   0  0  0  0  0
    1.0645    2.6669    0.0517 H   0  0  0  0  0
   -1.3465    2.4584    0.0401 H   0  0  0  0  0
   -3.3879    1.1027    0.0309 H   0  0  0  0  0
   -3.2644   -1.3380    0.1097 H   0  0  0  0  0
    0.4414   -3.1548    1.7072 H   0  0  0  0  0
   -3.0943   -2.6784   -1.8302 H   0  0  0  0  0
   -3.6975   -6.9119   -1.6916 H   0  0  0  0  0
   -1.9119   -7.0746    0.0361 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 20  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 30  1  0  0  0
 20 31  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2191146

>  <PubChem CID>
58345693

>  <Formula>
C16H11N3O

>  <Molecular Weight>
261.284000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2N3C=NC4=C3NC(=O)C=C4

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2N3C=NC4=C3NC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C16H11N3O/c20-15-9-8-13-16(18-15)19(10-17-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H,18,20)

>  <InChI Key>
DCECJUUHAXJTDH-UHFFFAOYSA-N

