
 SCHEMBL2192302

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.5676    0.8214    0.0647 C   0  0  0  0  0
   -1.5965   -0.7029    0.0533 C   0  0  0  0  0
   -0.3716   -1.3995    0.6542 C   0  0  0  0  0
    0.8686   -1.2974   -0.2508 C   0  0  0  0  0
    1.6766   -0.0071   -0.0849 C   0  0  0  0  0
    0.9201    1.2813    0.1928 C   0  0  0  0  0
   -0.3585    1.4586   -0.6166 C   0  0  0  0  0
    2.3996    0.1607   -1.2360 F   0  0  0  0  0
    2.5946   -0.1605    0.9086 F   0  0  0  0  0
    1.7701   -2.4483   -0.1335 N   0  0  0  0  0
    1.9257   -3.2947    0.9421 C   0  0  0  0  0
    2.7775   -4.2725    0.6896 N   0  0  0  0  0
    3.2175   -4.0097   -0.5620 C   0  0  0  0  0
    2.6458   -2.8843   -1.0880 C   0  0  0  0  0
    2.9939   -2.3945   -2.3255 N   0  0  0  0  0
    3.9700   -3.0952   -3.1108 C   0  0  0  0  0
    4.2647   -2.6488   -4.2033 O   0  0  0  0  0
    4.5486   -4.3296   -2.5111 C   0  0  0  0  0
    4.1778   -4.7450   -1.2874 C   0  0  0  0  0
   -2.4745    1.1791   -0.4391 H   0  0  0  0  0
   -1.6369    1.1770    1.1004 H   0  0  0  0  0
   -1.7511   -1.0546   -0.9746 H   0  0  0  0  0
   -2.4822   -1.0237    0.6167 H   0  0  0  0  0
   -0.1611   -1.0184    1.6606 H   0  0  0  0  0
   -0.6535   -2.4538    0.7734 H   0  0  0  0  0
    0.5201   -1.3490   -1.2922 H   0  0  0  0  0
    0.7095    1.3675    1.2658 H   0  0  0  0  0
    1.5942    2.1144   -0.0442 H   0  0  0  0  0
   -0.5591    2.5344   -0.6983 H   0  0  0  0  0
   -0.2393    1.0846   -1.6397 H   0  0  0  0  0
    1.3965   -3.1661    1.8793 H   0  0  0  0  0
    2.6386   -1.5180   -2.6861 H   0  0  0  0  0
    5.2821   -4.8567   -3.1080 H   0  0  0  0  0
    4.6035   -5.6375   -0.8405 H   0  0  0  0  0
  1  7  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
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5  8  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
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 31  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 32  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2192302

>  <PubChem CID>
58345763

>  <Formula>
C13H15F2N3O

>  <Molecular Weight>
267.280000

>  <IUPAC Name>
3-(2,2-difluorocycloheptyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C(CC1)(F)F)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1CCC(C(CC1)(F)F)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C13H15F2N3O/c14-13(15)7-3-1-2-4-10(13)18-8-16-9-5-6-11(19)17-12(9)18/h5-6,8,10H,1-4,7H2,(H,17,19)

>  <InChI Key>
MLQNPYLSTHCUPE-UHFFFAOYSA-N

