
 CHEMBL3770776

 50 54  0  0  0  0  0  0  0  0999 V2000
    7.1258    1.4645    3.3115 C   0  0  0  0  0
    6.0614    0.7316    2.5841 C   0  0  0  0  0
    5.7767   -0.6146    2.4590 C   0  0  0  0  0
    4.6776   -0.8306    1.6686 N   0  0  0  0  0
    4.2811    0.3660    1.3000 C   0  0  0  0  0
    5.0841    1.3627    1.8339 N   0  0  0  0  0
    4.8740    2.7217    1.6023 C   0  0  0  0  0
    3.8463    3.1489    0.8294 C   0  0  0  0  0
    3.0073    2.0882    0.2318 C   0  0  0  0  0
    3.2160    0.7767    0.4597 C   0  0  0  0  0
    3.6278    4.5007    0.5099 N   0  0  0  0  0
    2.3145    4.8811    0.2487 C   0  0  0  0  0
    2.0049    6.1199   -0.1550 C   0  0  0  0  0
    3.0468    7.0689   -0.4309 C   0  0  0  0  0
    4.3317    6.7788   -0.1782 C   0  0  0  0  0
    4.6647    5.4628    0.5001 C   0  0  0  0  0
    5.7980    5.2850    0.9503 O   0  0  0  0  0
    5.3304    7.6907   -0.5246 O   0  0  0  0  0
    6.5201    7.1903   -1.0067 C   0  0  0  0  0
    6.5749    6.1862   -1.9749 C   0  0  0  0  0
    7.8127    5.6869   -2.3800 C   0  0  0  0  0
    8.9990    6.2181   -1.8653 C   0  0  0  0  0
    8.9408    7.2360   -0.9117 C   0  0  0  0  0
    7.6992    7.7314   -0.4940 C   0  0  0  0  0
   10.1334    5.6445   -2.3596 O   0  0  0  0  0
   11.3138    6.4284   -2.3482 C   0  0  0  0  0
   11.9172    6.3621   -1.1426 F   0  0  0  0  0
   12.1640    5.9318   -3.2750 F   0  0  0  0  0
   11.0728    7.7202   -2.6597 F   0  0  0  0  0
    6.5613   -1.7424    3.1057 C   0  0  0  0  0
    5.7880   -2.9562    3.5796 C   0  0  0  0  0
    6.6517   -3.0643    2.3709 C   0  0  0  0  0
    7.7603    0.7902    3.8930 H   0  0  0  0  0
    6.6905    2.1871    4.0095 H   0  0  0  0  0
    7.7701    2.0037    2.6094 H   0  0  0  0  0
    5.5714    3.3840    2.0914 H   0  0  0  0  0
    2.2317    2.3576   -0.4774 H   0  0  0  0  0
    2.6091    0.0122   -0.0116 H   0  0  0  0  0
    1.5143    4.1727    0.4393 H   0  0  0  0  0
    0.9736    6.4157   -0.3198 H   0  0  0  0  0
    2.7734    8.0093   -0.8982 H   0  0  0  0  0
    5.6692    5.7666   -2.4013 H   0  0  0  0  0
    7.8528    4.8781   -3.1059 H   0  0  0  0  0
    9.8359    7.6528   -0.4595 H   0  0  0  0  0
    7.6515    8.5165    0.2557 H   0  0  0  0  0
    7.4214   -1.4502    3.6962 H   0  0  0  0  0
    4.7126   -2.9684    3.4374 H   0  0  0  0  0
    6.1183   -3.4362    4.4925 H   0  0  0  0  0
    7.5762   -3.6230    2.4510 H   0  0  0  0  0
    6.1647   -3.1519    1.4056 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 30 46  1  0  0  0
 31 32  1  0  0  0
 31 47  1  0  0  0
 31 48  1  0  0  0
 32 49  1  0  0  0
 32 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3770776

>  <PubChem CID>
127025110

>  <Formula>
C23H18F3N3O3

>  <Molecular Weight>
441.410000

>  <IUPAC Name>
1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(trifluoromethoxy)phenoxy]pyridin-2-one

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC=C(C3=O)OC4=CC=C(C=C4)OC(F)(F)F)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC=C(C3=O)OC4=CC=C(C=C4)OC(F)(F)F)C5CC5

>  <InChI Std. ID>
InChI=1S/C23H18F3N3O3/c1-14-21(15-4-5-15)27-20-11-6-16(13-29(14)20)28-12-2-3-19(22(28)30)31-17-7-9-18(10-8-17)32-23(24,25)26/h2-3,6-13,15H,4-5H2,1H3

>  <InChI Key>
HNLYYLZMISIJNO-UHFFFAOYSA-N

