
 SCHEMBL2193662

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.6152    0.8100   -0.2353 C   0  0  0  0  0
   -1.5450   -0.6421   -0.6921 C   0  0  0  0  0
   -0.5540   -1.5138    0.0773 C   0  0  0  0  0
    0.9022   -1.2519   -0.3089 C   0  0  0  0  0
    1.5895   -0.0579    0.3798 C   0  0  0  0  0
    0.6911    1.1153    0.7938 C   0  0  0  0  0
   -0.2910    1.5670   -0.2837 C   0  0  0  0  0
    2.4226   -0.4710    1.5106 N   0  0  0  0  0
    2.0267   -1.2250    2.5939 C   0  0  0  0  0
    3.0085   -1.4149    3.4569 N   0  0  0  0  0
    4.0548   -0.7534    2.9123 C   0  0  0  0  0
    3.7351   -0.1575    1.7222 C   0  0  0  0  0
    4.6494    0.5820    1.0071 N   0  0  0  0  0
    5.9832    0.7384    1.5167 C   0  0  0  0  0
    6.7736    1.3988    0.8705 O   0  0  0  0  0
    6.2878    0.0706    2.8119 C   0  0  0  0  0
    5.3486   -0.6383    3.4616 C   0  0  0  0  0
   -2.3349    1.3325   -0.8780 H   0  0  0  0  0
   -2.0277    0.8534    0.7805 H   0  0  0  0  0
   -1.3196   -0.6789   -1.7649 H   0  0  0  0  0
   -2.5458   -1.0772   -0.5771 H   0  0  0  0  0
   -0.7114   -1.4194    1.1565 H   0  0  0  0  0
   -0.7779   -2.5582   -0.1760 H   0  0  0  0  0
    1.4821   -2.1658   -0.1231 H   0  0  0  0  0
    0.9506   -1.1001   -1.3956 H   0  0  0  0  0
    2.3050    0.3310   -0.3587 H   0  0  0  0  0
    0.1522    0.8897    1.7228 H   0  0  0  0  0
    1.3436    1.9655    1.0369 H   0  0  0  0  0
   -0.5155    2.6272   -0.1094 H   0  0  0  0  0
    0.1592    1.5050   -1.2812 H   0  0  0  0  0
    1.0202   -1.6081    2.7083 H   0  0  0  0  0
    4.4288    1.0321    0.1307 H   0  0  0  0  0
    7.2941    0.1908    3.1914 H   0  0  0  0  0
    5.5628   -1.1264    4.4067 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193662

>  <PubChem CID>
58345651

>  <Formula>
C13H17N3O

>  <Molecular Weight>
231.299000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCCC(CC1)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1CCCC(CC1)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H17N3O/c17-12-8-7-11-13(15-12)16(9-14-11)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,15,17)

>  <InChI Key>
INMVHVYKXDJOQH-UHFFFAOYSA-N

