
 SCHEMBL2194662

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.1833   -1.5078    0.2139 C   0  0  0  0  0
   -1.2386   -0.6045    0.1887 C   0  0  0  0  0
   -0.9884    0.7562    0.0147 C   0  0  0  0  0
    0.3223    1.2298   -0.1203 C   0  0  0  0  0
    1.3925    0.3080   -0.1623 C   0  0  0  0  0
    1.1268   -1.0586    0.0366 C   0  0  0  0  0
    2.7424    0.7099   -0.3878 N   0  0  0  0  0
    3.8853    0.0332    0.0282 C   0  0  0  0  0
    5.0085    0.6356   -0.3178 N   0  0  0  0  0
    4.5924    1.7225   -0.9952 C   0  0  0  0  0
    3.2279    1.8023   -1.0817 C   0  0  0  0  0
    2.6187    2.8023   -1.8166 N   0  0  0  0  0
    3.4035    3.8101   -2.4621 C   0  0  0  0  0
    2.8327    4.6852   -3.0810 O   0  0  0  0  0
    4.8787    3.6920   -2.3138 C   0  0  0  0  0
    5.4229    2.6827   -1.6108 C   0  0  0  0  0
    0.5995    2.5609   -0.2021 O   0  0  0  0  0
   -0.1500    3.4287    0.6504 C   0  0  0  0  0
    0.6436    4.4674    0.9869 F   0  0  0  0  0
   -1.2205    3.9073   -0.0211 F   0  0  0  0  0
   -0.5603    2.8236    1.7833 F   0  0  0  0  0
   -0.3816   -2.5693    0.3542 H   0  0  0  0  0
   -2.2589   -0.9591    0.3126 H   0  0  0  0  0
   -1.8402    1.4343    0.0045 H   0  0  0  0  0
    1.9102   -1.8147    0.0168 H   0  0  0  0  0
    3.8414   -0.8746    0.6160 H   0  0  0  0  0
    1.6121    2.8534   -1.8931 H   0  0  0  0  0
    5.4757    4.4530   -2.8028 H   0  0  0  0  0
    6.5004    2.5897   -1.5058 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
 17 18  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194662

>  <PubChem CID>
58345683

>  <Formula>
C13H8F3N3O2

>  <Molecular Weight>
295.221000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)N2C=NC3=C2NC(=O)C=C3)OC(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)N2C=NC3=C2NC(=O)C=C3)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C13H8F3N3O2/c14-13(15,16)21-10-4-2-1-3-9(10)19-7-17-8-5-6-11(20)18-12(8)19/h1-7H,(H,18,20)

>  <InChI Key>
LNHSUWWQJSPCIV-UHFFFAOYSA-N

