
 SCHEMBL2195973

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9786   -0.2388   -0.1071 C   0  0  0  0  0
    2.4581   -0.1131    0.0189 C   0  0  0  0  0
    3.2732   -1.1616    0.0407 N   0  0  0  0  0
    4.5128   -0.6357    0.0275 C   0  0  0  0  0
    4.5025    0.7299    0.0070 C   0  0  0  0  0
    3.1702    1.0957    0.0018 N   0  0  0  0  0
    2.6821    2.4238   -0.0414 C   0  0  0  0  0
    3.3243    3.3777   -0.8447 C   0  0  0  0  0
    2.8466    4.6912   -0.8841 C   0  0  0  0  0
    1.7387    5.0588   -0.1201 C   0  0  0  0  0
    1.1055    4.1149    0.6857 C   0  0  0  0  0
    1.5775    2.8056    0.7220 C   0  0  0  0  0
    0.9939    1.9503    1.5704 F   0  0  0  0  0
    5.6773    1.4588    0.0663 N   0  0  0  0  0
    6.9384    0.7770    0.1084 C   0  0  0  0  0
    7.9535    1.4444    0.1572 O   0  0  0  0  0
    6.8942   -0.7090    0.0958 C   0  0  0  0  0
    5.7207   -1.3632    0.0624 C   0  0  0  0  0
    0.7286   -1.1863   -0.5968 H   0  0  0  0  0
    0.5463    0.5608   -0.7147 H   0  0  0  0  0
    0.5071   -0.2460    0.8793 H   0  0  0  0  0
    4.1565    3.1176   -1.4954 H   0  0  0  0  0
    3.3281    5.4292   -1.5226 H   0  0  0  0  0
    1.3690    6.0820   -0.1528 H   0  0  0  0  0
    0.2522    4.3957    1.2975 H   0  0  0  0  0
    5.6866    2.4678    0.1279 H   0  0  0  0  0
    7.8471   -1.2215    0.1255 H   0  0  0  0  0
    5.6801   -2.4475    0.0637 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 18  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195973

>  <PubChem CID>
58345712

>  <Formula>
C13H10FN3O

>  <Molecular Weight>
243.241000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=CC=C3F)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3F)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H10FN3O/c1-8-15-10-6-7-12(18)16-13(10)17(8)11-5-3-2-4-9(11)14/h2-7H,1H3,(H,16,18)

>  <InChI Key>
JHORRQMOGNICTA-UHFFFAOYSA-N

