
 GSK1614343

 57 60  0  0  0  0  0  0  0  0999 V2000
   -0.5348    2.6471   -3.2415 C   0  0  0  0  0
   -1.5171    1.6384   -2.6383 C   0  0  0  0  0
   -2.0841    2.3937   -1.4533 C   0  0  0  0  0
   -2.7151    1.5553   -0.3330 C   0  0  0  0  0
   -3.2218    2.4815    0.7337 N   0  0  0  0  0
   -2.0435    3.2642    1.2303 C   0  0  0  0  0
   -1.2377    3.9934    0.1144 C   0  0  0  0  0
   -0.8794    3.0684   -0.9587 N   0  0  0  0  0
   -0.2579    3.6684   -2.1317 C   0  0  0  0  0
   -3.8813    1.7141    1.8519 C   0  0  0  0  0
   -4.2790    2.5908    3.0311 C   0  0  0  0  0
   -3.4983    2.6065    4.1846 C   0  0  0  0  0
   -3.7419    3.3817    5.2656 N   0  0  0  0  0
   -4.8311    4.1747    5.2132 C   0  0  0  0  0
   -5.6811    4.2358    4.1244 C   0  0  0  0  0
   -5.3949    3.4413    3.0161 C   0  0  0  0  0
   -5.1289    0.9471    1.3148 C   0  0  0  0  0
   -5.5006   -0.1396    1.7583 O   0  0  0  0  0
   -5.7930    1.6235    0.2892 N   0  0  0  0  0
   -6.4957    0.7978   -0.6005 N   0  0  0  0  0
   -7.2885    1.4287   -1.5783 C   0  0  0  0  0
   -7.4330    2.8168   -1.6944 C   0  0  0  0  0
   -8.1501    3.3938   -2.7569 C   0  0  0  0  0
   -8.7075    2.5577   -3.7368 C   0  0  0  0  0
   -8.5665    1.1657   -3.6554 C   0  0  0  0  0
   -7.8645    0.6193   -2.5682 C   0  0  0  0  0
   -9.1250    0.2536   -4.7209 C   0  0  0  0  0
   -8.1602   -0.4974   -5.3182 F   0  0  0  0  0
  -10.0353   -0.6276   -4.2261 F   0  0  0  0  0
   -9.7559    0.9194   -5.7277 F   0  0  0  0  0
   -8.3102    4.8913   -2.8631 C   0  0  0  0  0
   -7.7390    5.3929   -3.9926 F   0  0  0  0  0
   -9.6163    5.2727   -2.9015 F   0  0  0  0  0
   -7.7505    5.5752   -1.8265 F   0  0  0  0  0
    0.3802    2.1438   -3.5729 H   0  0  0  0  0
   -0.9809    3.1459   -4.1086 H   0  0  0  0  0
   -0.9819    0.7342   -2.3218 H   0  0  0  0  0
   -2.2893    1.3440   -3.3549 H   0  0  0  0  0
   -2.8217    3.1246   -1.8207 H   0  0  0  0  0
   -3.5228    0.9622   -0.7718 H   0  0  0  0  0
   -1.9873    0.8460    0.0837 H   0  0  0  0  0
   -1.3584    2.5954    1.7716 H   0  0  0  0  0
   -2.3758    4.0379    1.9296 H   0  0  0  0  0
   -0.3296    4.4183    0.5551 H   0  0  0  0  0
   -1.8417    4.8259   -0.2707 H   0  0  0  0  0
    0.8158    3.8213   -1.9858 H   0  0  0  0  0
   -0.7135    4.6309   -2.3953 H   0  0  0  0  0
   -3.1843    0.9387    2.2025 H   0  0  0  0  0
   -2.6082    1.9903    4.2707 H   0  0  0  0  0
   -5.0086    4.7814    6.0961 H   0  0  0  0  0
   -6.5480    4.8890    4.1343 H   0  0  0  0  0
   -6.0536    3.4977    2.1531 H   0  0  0  0  0
   -5.2144    2.3396   -0.1520 H   0  0  0  0  0
   -6.9406   -0.0036   -0.1433 H   0  0  0  0  0
   -7.0013    3.4746   -0.9427 H   0  0  0  0  0
   -9.2490    3.0008   -4.5749 H   0  0  0  0  0
   -7.7321   -0.4621   -2.5142 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  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  8  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 49  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 50  1  0  0  0
 15 16  2  0  0  0
 15 51  1  0  0  0
 16 52  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 20 21  1  0  0  0
 20 54  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 23 24  2  0  0  0
 23 31  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 57  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  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>
GSK1614343

>  <PubChem CID>
25124566

>  <Formula>
C22H23F6N5O

>  <Molecular Weight>
487.450000

>  <IUPAC Name>
(2R)-2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N'-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-ylacetohydrazide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CC2CN(CCN2C1)C(C3=CN=CC=C3)C(=O)NNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C1C[C@@H]2CN(CCN2C1)[C@H](C3=CN=CC=C3)C(=O)NNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1

>  <InChI Key>
QNOSCJDGJKVFJR-RTBURBONSA-N

