
 CHEMBL551408

 55 58  0  0  0  0  0  0  0  0999 V2000
   11.7503    1.3402   -0.9210 C   0  0  0  0  0
   11.0242    1.7550    0.3331 C   0  0  0  0  0
   11.5669    2.5252    1.1278 O   0  0  0  0  0
    9.7558    1.2362    0.5382 N   0  0  0  0  0
    9.0486    0.3574   -0.3819 C   0  0  0  0  0
    8.9898    1.7239    1.6843 C   0  0  0  0  0
    8.2559    2.9692    1.3024 C   0  0  0  0  0
    8.7165    4.2703    1.3378 C   0  0  0  0  0
    7.7017    5.0429    0.8459 N   0  0  0  0  0
    7.6630    6.4184    0.6426 C   0  0  0  0  0
    6.5530    6.9881    0.1366 C   0  0  0  0  0
    5.4219    6.1088   -0.1781 C   0  0  0  0  0
    5.4727    4.7751    0.0202 C   0  0  0  0  0
    6.6521    4.1839    0.5495 C   0  0  0  0  0
    6.9633    2.9318    0.8164 N   0  0  0  0  0
    6.3935    8.3333   -0.1203 N   0  0  0  0  0
    7.3035    9.3512    0.1297 C   0  0  0  0  0
    8.3929    9.2310    0.6763 O   0  0  0  0  0
    6.8684   10.7158   -0.2791 C   0  0  0  0  0
    6.0938   10.9415   -1.4199 C   0  0  0  0  0
    5.7116   12.2474   -1.7561 C   0  0  0  0  0
    6.0809   13.3540   -0.9676 C   0  0  0  0  0
    6.8804   13.1010    0.1608 C   0  0  0  0  0
    7.2782   11.8023    0.4973 C   0  0  0  0  0
    5.6432   14.7274   -1.3114 C   0  0  0  0  0
    4.3630   14.9734   -1.8397 C   0  0  0  0  0
    3.9374   16.2678   -2.1616 C   0  0  0  0  0
    4.7803   17.3661   -1.9558 C   0  0  0  0  0
    6.0561   17.1390   -1.4247 C   0  0  0  0  0
    6.4801   15.8405   -1.1145 C   0  0  0  0  0
    4.3338   18.7691   -2.2856 C   0  0  0  0  0
    4.2684   19.5665   -1.1835 F   0  0  0  0  0
    5.1779   19.3955   -3.1512 F   0  0  0  0  0
    3.1003   18.8272   -2.8612 F   0  0  0  0  0
   11.9156    0.2592   -0.9242 H   0  0  0  0  0
   12.7266    1.8335   -0.9534 H   0  0  0  0  0
   11.1861    1.6509   -1.8043 H   0  0  0  0  0
    9.6619    0.0490   -1.2281 H   0  0  0  0  0
    8.1608    0.8709   -0.7637 H   0  0  0  0  0
    8.7419   -0.5387    0.1651 H   0  0  0  0  0
    9.6629    1.9319    2.5238 H   0  0  0  0  0
    8.2921    0.9444    2.0098 H   0  0  0  0  0
    9.6696    4.6857    1.6397 H   0  0  0  0  0
    8.5614    6.9555    0.9132 H   0  0  0  0  0
    4.5149    6.5480   -0.5832 H   0  0  0  0  0
    4.6333    4.1304   -0.2155 H   0  0  0  0  0
    5.4902    8.6127   -0.4791 H   0  0  0  0  0
    5.8101   10.1274   -2.0798 H   0  0  0  0  0
    5.1280   12.3931   -2.6642 H   0  0  0  0  0
    7.1984   13.9160    0.8100 H   0  0  0  0  0
    7.9044   11.6424    1.3745 H   0  0  0  0  0
    3.6649   14.1537   -1.9950 H   0  0  0  0  0
    2.9381   16.4104   -2.5695 H   0  0  0  0  0
    6.7320   17.9746   -1.2511 H   0  0  0  0  0
    7.4864   15.7106   -0.7220 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 54  1  0  0  0
 30 55  1  0  0  0
 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL551408

>  <PubChem CID>
45270139

>  <Formula>
C25H21F3N4O2

>  <Molecular Weight>
466.464000

>  <IUPAC Name>
N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N(C)CC1=CN2C=C(C=CC2=N1)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
CC(=O)N(C)CC1=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/C25H21F3N4O2/c1-16(33)31(2)13-22-15-32-14-21(11-12-23(32)29-22)30-24(34)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-12,14-15H,13H2,1-2H3,(H,30,34)

>  <InChI Key>
AJYZGIPEBSDQDP-UHFFFAOYSA-N

