
 CHEMBL562537

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.4336    1.3259   -2.9079 C   0  0  0  0  0
    0.2667    1.7252   -1.4534 C   0  0  0  0  0
    1.1777    2.7762   -1.1121 O   0  0  0  0  0
    0.7581    4.0458   -1.3895 C   0  0  0  0  0
   -0.3098    4.3223   -1.9259 O   0  0  0  0  0
    1.7265    5.0615   -0.9751 C   0  0  0  0  0
    1.5973    6.4281   -1.1604 C   0  0  0  0  0
    2.7247    6.9932   -0.6245 N   0  0  0  0  0
    3.0991    8.3345   -0.5607 C   0  0  0  0  0
    4.2700    8.6786    0.0188 C   0  0  0  0  0
    5.0862    7.5972    0.5744 C   0  0  0  0  0
    4.7174    6.3034    0.5017 C   0  0  0  0  0
    3.4929    5.9530   -0.1230 C   0  0  0  0  0
    2.9198    4.7869   -0.3253 N   0  0  0  0  0
    4.6479   10.0045    0.0646 N   0  0  0  0  0
    5.8222   10.5479    0.5692 C   0  0  0  0  0
    6.7641    9.9242    1.0413 O   0  0  0  0  0
    5.9462   12.0332    0.4845 C   0  0  0  0  0
    4.8516   12.8944    0.5224 C   0  0  0  0  0
    5.0427   14.2851    0.4406 C   0  0  0  0  0
    6.3215   14.8749    0.3364 C   0  0  0  0  0
    7.4054   13.9745    0.3305 C   0  0  0  0  0
    7.2260   12.5847    0.4012 C   0  0  0  0  0
    6.5146   16.3599    0.2334 C   0  0  0  0  0
    7.7799   16.9417    0.0092 C   0  0  0  0  0
    7.9610   18.3285   -0.1171 C   0  0  0  0  0
    6.8749   19.2002   -0.0290 C   0  0  0  0  0
    5.6115   18.6540    0.2065 C   0  0  0  0  0
    5.4410   17.2673    0.3389 C   0  0  0  0  0
    7.0398   20.6900   -0.1923 C   0  0  0  0  0
    6.3305   21.1770   -1.2486 F   0  0  0  0  0
    6.6105   21.3855    0.8971 F   0  0  0  0  0
    8.3290   21.0783   -0.3991 F   0  0  0  0  0
   -0.2548    0.5167   -3.1682 H   0  0  0  0  0
    1.4583    0.9908   -3.0988 H   0  0  0  0  0
    0.2461    2.1728   -3.5753 H   0  0  0  0  0
    0.5063    0.8716   -0.8104 H   0  0  0  0  0
   -0.7678    2.0114   -1.2322 H   0  0  0  0  0
    0.8143    7.0148   -1.6197 H   0  0  0  0  0
    2.4109    9.0450   -0.9994 H   0  0  0  0  0
    6.0233    7.8281    1.0678 H   0  0  0  0  0
    5.3355    5.5153    0.9159 H   0  0  0  0  0
    4.0137   10.6515   -0.3862 H   0  0  0  0  0
    3.8394   12.5212    0.6460 H   0  0  0  0  0
    4.1436   14.8942    0.4672 H   0  0  0  0  0
    8.4333   14.3209    0.2757 H   0  0  0  0  0
    8.1009   11.9358    0.3925 H   0  0  0  0  0
    8.6745   16.3326   -0.0857 H   0  0  0  0  0
    8.9641   18.7158   -0.2933 H   0  0  0  0  0
    4.7417   19.3054    0.2852 H   0  0  0  0  0
    4.4272   16.9265    0.5263 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
 29 51  1  0  0  0
 30 33  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL562537

>  <PubChem CID>
23120543

>  <Formula>
C24H18F3N3O3

>  <Molecular Weight>
453.421000

>  <IUPAC Name>
ethyl 6-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
CCOC(=O)C1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H18F3N3O3/c1-2-33-23(32)20-14-30-13-19(11-12-21(30)29-20)28-22(31)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24(25,26)27/h3-14H,2H2,1H3,(H,28,31)

>  <InChI Key>
AABAPQXESPRCSA-UHFFFAOYSA-N

