
 CHEMBL3701910

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.2143   -0.2290   -1.0293 C   0  0  0  0  0
    0.5226    0.7250   -0.0465 C   0  0  0  0  0
   -0.9076    0.5998   -0.0789 O   0  0  0  0  0
   -1.3524   -0.7583    0.1537 C   0  0  0  0  0
   -0.6532   -1.7012   -0.8668 C   0  0  0  0  0
    0.8237   -1.6344   -0.8148 N   0  0  0  0  0
   -1.2532   -1.1381    1.6298 C   0  0  0  0  0
   -1.1116   -2.4645    2.0577 C   0  0  0  0  0
   -1.0266   -2.7760    3.4208 C   0  0  0  0  0
   -1.0990   -1.7795    4.4004 C   0  0  0  0  0
   -1.2760   -0.4606    3.9800 C   0  0  0  0  0
   -1.3672   -0.1472    2.6188 C   0  0  0  0  0
   -0.9743   -2.1583    5.7511 N   0  0  0  0  0
   -1.2471   -1.4245    6.9107 C   0  0  0  0  0
   -0.3505   -1.5378    7.9120 N   0  0  0  0  0
   -0.5887   -0.8568    9.0595 C   0  0  0  0  0
   -1.7034   -0.0648    9.2759 C   0  0  0  0  0
   -2.6335    0.0231    8.2393 C   0  0  0  0  0
   -2.4054   -0.6669    7.0488 C   0  0  0  0  0
   -1.9003    0.6550   10.5730 C   0  0  0  0  0
   -1.9988    2.0032   10.4104 F   0  0  0  0  0
   -3.0395    0.2727   11.2128 F   0  0  0  0  0
   -0.8895    0.4610   11.4646 F   0  0  0  0  0
    0.9606    0.0534   -2.0580 H   0  0  0  0  0
    2.3010   -0.1382   -0.9283 H   0  0  0  0  0
    0.7622    1.7604   -0.3103 H   0  0  0  0  0
    0.8846    0.5611    0.9748 H   0  0  0  0  0
   -2.4242   -0.7621   -0.0827 H   0  0  0  0  0
   -0.9687   -2.7407   -0.7390 H   0  0  0  0  0
   -0.9639   -1.4146   -1.8801 H   0  0  0  0  0
    1.1179   -1.9034    0.1263 H   0  0  0  0  0
   -1.0671   -3.2879    1.3500 H   0  0  0  0  0
   -0.9159   -3.8173    3.7175 H   0  0  0  0  0
   -1.3164    0.3542    4.6968 H   0  0  0  0  0
   -1.5079    0.8945    2.3331 H   0  0  0  0  0
   -0.1029   -2.6574    5.9157 H   0  0  0  0  0
    0.1795   -0.9800    9.8213 H   0  0  0  0  0
   -3.5382    0.6165    8.3532 H   0  0  0  0  0
   -3.1366   -0.6274    6.2481 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701910

>  <PubChem CID>
68325509

>  <Formula>
C16H16F3N3O

>  <Molecular Weight>
323.319000

>  <IUPAC Name>
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=NC=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C16H16F3N3O/c17-16(18,19)12-3-6-15(21-9-12)22-13-4-1-11(2-5-13)14-10-20-7-8-23-14/h1-6,9,14,20H,7-8,10H2,(H,21,22)

>  <InChI Key>
ICJRJBTWDCPIOM-UHFFFAOYSA-N

