
 SCHEMBL2192648

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.2005   -0.4527   -1.0228 C   0  0  0  0  0
    2.5801   -0.2834   -0.4841 C   0  0  0  0  0
    3.4420   -1.2811   -0.3253 N   0  0  0  0  0
    4.6016   -0.6817    0.0183 C   0  0  0  0  0
    4.4853    0.6770    0.0981 C   0  0  0  0  0
    3.1656    0.9513   -0.1818 N   0  0  0  0  0
    2.5860    2.2414   -0.2431 C   0  0  0  0  0
    3.2147    3.1738   -1.0808 C   0  0  0  0  0
    2.6528    4.4316   -1.2480 C   0  0  0  0  0
    1.4734    4.7670   -0.5789 C   0  0  0  0  0
    0.8356    3.8564    0.3026 C   0  0  0  0  0
   -0.3441    4.1835    1.0153 C   0  0  0  0  0
   -0.9335    3.2985    1.9163 C   0  0  0  0  0
   -0.3507    2.0646    2.1425 C   0  0  0  0  0
    0.8068    1.7096    1.4497 C   0  0  0  0  0
    1.4101    2.5686    0.4933 C   0  0  0  0  0
    0.8520    6.3590   -0.8748 Cl  0  0  0  0  0
    5.5505    1.4795    0.4593 N   0  0  0  0  0
    6.8253    0.8831    0.7354 C   0  0  0  0  0
    7.7487    1.6096    1.0467 O   0  0  0  0  0
    6.9069   -0.5985    0.6185 C   0  0  0  0  0
    5.8291   -1.3262    0.2774 C   0  0  0  0  0
    1.1750   -1.3040   -1.7114 H   0  0  0  0  0
    0.8626    0.4258   -1.5796 H   0  0  0  0  0
    0.4938   -0.6597   -0.2147 H   0  0  0  0  0
    4.1028    2.9225   -1.6583 H   0  0  0  0  0
    3.1230    5.1477   -1.9195 H   0  0  0  0  0
   -0.8231    5.1530    0.8847 H   0  0  0  0  0
   -1.8367    3.5856    2.4498 H   0  0  0  0  0
   -0.7911    1.3777    2.8618 H   0  0  0  0  0
    1.2386    0.7405    1.6919 H   0  0  0  0  0
    5.4597    2.4817    0.5645 H   0  0  0  0  0
    7.8703   -1.0458    0.8267 H   0  0  0  0  0
    5.8828   -2.4073    0.1947 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 22  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 16  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
 10 17  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 33  1  0  0  0
 22 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192648

>  <PubChem CID>
58345714

>  <Formula>
C17H12ClN3O

>  <Molecular Weight>
309.753000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=C(C4=CC=CC=C43)Cl)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=C(C4=CC=CC=C43)Cl)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C17H12ClN3O/c1-10-19-14-7-9-16(22)20-17(14)21(10)15-8-6-13(18)11-4-2-3-5-12(11)15/h2-9H,1H3,(H,20,22)

>  <InChI Key>
IMKNPTVXZZTESE-UHFFFAOYSA-N

