
 CHEMBL3617654

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.9187   -0.2920    0.3478 C   0  0  0  0  0
    2.3561    0.0710   -0.0217 C   0  0  0  0  0
    3.3366   -1.0777    0.2448 C   0  0  0  0  0
    3.5957   -1.2952    1.6825 N   0  0  0  0  0
    3.7969   -0.1901    2.5309 C   0  0  0  0  0
    4.2284   -0.2575    3.6787 O   0  0  0  0  0
    3.4826    1.0841    1.9306 C   0  0  0  0  0
    3.7534    2.3771    2.3259 C   0  0  0  0  0
    3.2373    3.2023    1.2923 C   0  0  0  0  0
    2.6462    2.4709    0.3316 N   0  0  0  0  0
    2.8165    1.2100    0.7506 N   0  0  0  0  0
    3.3165    4.6970    1.1957 C   0  0  0  0  0
    4.5317    5.0888    0.5463 O   0  0  0  0  0
    4.6424    6.4526    0.3905 C   0  0  0  0  0
    3.7367    7.2731    0.9659 N   0  0  0  0  0
    3.9221    8.6031    0.7780 C   0  0  0  0  0
    4.9710    9.1430    0.0482 C   0  0  0  0  0
    5.8907    8.2745   -0.5275 C   0  0  0  0  0
    5.7259    6.9014   -0.3523 C   0  0  0  0  0
    5.1338   10.8406   -0.1392 Cl  0  0  0  0  0
    4.0040   -2.6072    2.0572 C   0  0  0  0  0
    4.4206   -3.4305    1.0605 N   0  0  0  0  0
    4.8640   -4.6659    1.4003 C   0  0  0  0  0
    4.8682   -5.1477    2.6928 C   0  0  0  0  0
    4.3943   -4.3323    3.7024 C   0  0  0  0  0
    3.9604   -3.0439    3.3824 C   0  0  0  0  0
    5.3125   -6.3801    2.9649 F   0  0  0  0  0
    0.5710   -1.1483   -0.2391 H   0  0  0  0  0
    0.2430    0.5482    0.1518 H   0  0  0  0  0
    0.8216   -0.5465    1.4092 H   0  0  0  0  0
    2.4002    0.3473   -1.0820 H   0  0  0  0  0
    2.9357   -1.9897   -0.2140 H   0  0  0  0  0
    4.3053   -0.8537   -0.2218 H   0  0  0  0  0
    4.2838    2.6811    3.2180 H   0  0  0  0  0
    3.2857    5.1101    2.2127 H   0  0  0  0  0
    2.4488    5.0639    0.6318 H   0  0  0  0  0
    3.1781    9.2397    1.2483 H   0  0  0  0  0
    6.7281    8.6529   -1.1064 H   0  0  0  0  0
    6.4244    6.1945   -0.7864 H   0  0  0  0  0
    5.2307   -5.2771    0.5818 H   0  0  0  0  0
    4.3664   -4.6896    4.7261 H   0  0  0  0  0
    3.5733   -2.4153    4.1783 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  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
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 18 38  1  0  0  0
 19 39  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
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 25 41  1  0  0  0
 26 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617654

>  <PubChem CID>
122190431

>  <Formula>
C18H15ClFN5O2

>  <Molecular Weight>
387.799000

>  <IUPAC Name>
(7R)-2-[(5-chloropyridin-2-yl)oxymethyl]-5-(5-fluoropyridin-2-yl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=NC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=NC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1

>  <InChI Key>
FGVQJXXTURXJIB-LLVKDONJSA-N

