
 CP-293019

 48 51  0  0  0  0  0  0  0  0999 V2000
   -2.2406    0.9909    0.1990 C   0  0  0  0  0
   -0.9826    1.6648   -0.3469 C   0  0  0  0  0
    0.3014    1.0176    0.2013 C   0  0  0  0  0
    1.5402    1.6788   -0.4734 C   0  0  0  0  0
    2.7883    1.0319   -0.0387 N   0  0  0  0  0
    2.7757   -0.4229   -0.2510 C   0  0  0  0  0
    1.5469   -1.0647    0.4377 C   0  0  0  0  0
    0.2768   -0.4570   -0.0232 N   0  0  0  0  0
   -0.8813   -1.0759    0.6311 C   0  0  0  0  0
   -2.1902   -0.5359    0.0334 C   0  0  0  0  0
   -2.3338   -0.9860   -1.4332 C   0  0  0  0  0
   -3.5803   -0.5232   -1.9588 O   0  0  0  0  0
   -3.8386   -0.8187   -3.2709 C   0  0  0  0  0
   -3.0489   -1.6193   -4.1023 C   0  0  0  0  0
   -3.4357   -1.8530   -5.4254 C   0  0  0  0  0
   -4.6069   -1.2849   -5.9108 C   0  0  0  0  0
   -5.4005   -0.4854   -5.0991 C   0  0  0  0  0
   -5.0146   -0.2543   -3.7772 C   0  0  0  0  0
   -4.9751   -1.5134   -7.1780 F   0  0  0  0  0
    3.3003    1.4504    1.1838 C   0  0  0  0  0
    4.2270    0.6841    1.7935 N   0  0  0  0  0
    4.7606    1.1342    2.9500 C   0  0  0  0  0
    4.3970    2.3163    3.5323 C   0  0  0  0  0
    3.4420    3.0320    2.8650 C   0  0  0  0  0
    2.8858    2.6231    1.7031 N   0  0  0  0  0
    4.9373    2.7425    4.6780 F   0  0  0  0  0
   -2.3287    1.2262    1.2679 H   0  0  0  0  0
   -3.1295    1.4116   -0.2841 H   0  0  0  0  0
   -1.0029    2.7285   -0.0794 H   0  0  0  0  0
   -0.9920    1.6197   -1.4431 H   0  0  0  0  0
    0.3504    1.2090    1.2828 H   0  0  0  0  0
    1.4627    1.5565   -1.5627 H   0  0  0  0  0
    1.5487    2.7629   -0.3050 H   0  0  0  0  0
    2.7127   -0.6105   -1.3313 H   0  0  0  0  0
    3.7005   -0.9124    0.0757 H   0  0  0  0  0
    1.5440   -2.1346    0.1977 H   0  0  0  0  0
    1.6405   -0.9717    1.5275 H   0  0  0  0  0
   -0.8524   -2.1638    0.4915 H   0  0  0  0  0
   -0.8620   -0.8929    1.7137 H   0  0  0  0  0
   -3.0369   -0.9529    0.5943 H   0  0  0  0  0
   -2.3149   -2.0828   -1.4625 H   0  0  0  0  0
   -1.5103   -0.5950   -2.0420 H   0  0  0  0  0
   -2.1303   -2.0791   -3.7530 H   0  0  0  0  0
   -2.8308   -2.4753   -6.0767 H   0  0  0  0  0
   -6.3111   -0.0493   -5.4959 H   0  0  0  0  0
   -5.6322    0.3702   -3.1364 H   0  0  0  0  0
    5.5129    0.4969    3.4007 H   0  0  0  0  0
    3.0870    3.9820    3.2482 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
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  2 30  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
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  4 33  1  0  0  0
  5  6  1  0  0  0
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  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
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  9 38  1  0  0  0
  9 39  1  0  0  0
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 11 12  1  0  0  0
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 24 48  1  0  0  0
M  END

>  <Chemical Name>
CP-293019

>  <PubChem CID>
9820261

>  <Formula>
C19H22F2N4O

>  <Molecular Weight>
360.409000

>  <IUPAC Name>
(7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2CN(CCN2CC1COC3=CC=C(C=C3)F)C4=NC=C(C=N4)F

>  <Isomeric SMILES>
C1C[C@H]2CN(CCN2C[C@@H]1COC3=CC=C(C=C3)F)C4=NC=C(C=N4)F

>  <InChI Std. ID>
InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1

>  <InChI Key>
QXWNESOGWFJDFR-PBHICJAKSA-N

