
 CHEMBL3746457

 40 43  0  0  0  0  0  0  0  0999 V2000
   -2.0983    0.6669   -0.4462 C   0  0  0  0  0
   -0.9736    1.4681    0.1962 C   0  0  0  0  0
    0.1882    0.6124    0.2666 N   0  0  0  0  0
    0.0954   -0.7344    0.4178 C   0  0  0  0  0
    1.3985   -1.1859    0.3895 C   0  0  0  0  0
    2.1911   -0.0280    0.1666 C   0  0  0  0  0
    1.4341    1.0827    0.1284 N   0  0  0  0  0
    3.6768    0.0486   -0.0247 C   0  0  0  0  0
    4.1603   -1.0774   -0.7663 O   0  0  0  0  0
    5.4933   -1.0996   -1.0699 C   0  0  0  0  0
    6.4317   -0.1231   -0.7323 C   0  0  0  0  0
    7.7694   -0.2744   -1.1114 C   0  0  0  0  0
    8.1751   -1.4004   -1.8258 C   0  0  0  0  0
    7.2431   -2.3777   -2.1650 C   0  0  0  0  0
    5.9078   -2.2250   -1.7882 C   0  0  0  0  0
   -1.1657   -1.4319    0.5340 C   0  0  0  0  0
   -1.2107   -2.6111    0.8690 O   0  0  0  0  0
   -2.2862   -0.6496    0.1933 N   0  0  0  0  0
   -3.5765   -1.2337    0.0560 C   0  0  0  0  0
   -4.3785   -0.7317   -0.9181 N   0  0  0  0  0
   -5.5901   -1.3123   -1.1026 C   0  0  0  0  0
   -6.0718   -2.3402   -0.3179 C   0  0  0  0  0
   -5.2802   -2.8125    0.7123 C   0  0  0  0  0
   -4.0117   -2.2586    0.8981 C   0  0  0  0  0
   -7.2822   -2.8645   -0.5416 F   0  0  0  0  0
   -3.0189    1.2575   -0.3710 H   0  0  0  0  0
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   -1.2181    1.7551    1.2254 H   0  0  0  0  0
   -0.7310    2.3611   -0.3867 H   0  0  0  0  0
    1.7315   -2.2133    0.4579 H   0  0  0  0  0
    4.1509    0.0699    0.9643 H   0  0  0  0  0
    3.9115    0.9738   -0.5666 H   0  0  0  0  0
    6.1607    0.7691   -0.1782 H   0  0  0  0  0
    8.4962    0.4901   -0.8484 H   0  0  0  0  0
    9.2156   -1.5150   -2.1181 H   0  0  0  0  0
    7.5524   -3.2577   -2.7225 H   0  0  0  0  0
    5.1829   -2.9894   -2.0573 H   0  0  0  0  0
   -6.1803   -0.9209   -1.9239 H   0  0  0  0  0
   -5.6406   -3.6048    1.3589 H   0  0  0  0  0
   -3.3974   -2.6226    1.7148 H   0  0  0  0  0
  1 18  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4 16  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
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 14 36  1  0  0  0
 15 37  1  0  0  0
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 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
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3746457

>  <PubChem CID>
67974411

>  <Formula>
C18H15FN4O2

>  <Molecular Weight>
338.342000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2C(=CC(=N2)COC3=CC=CC=C3)C(=O)N1C4=NC=C(C=C4)F

>  <Isomeric SMILES>
C1CN2C(=CC(=N2)COC3=CC=CC=C3)C(=O)N1C4=NC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2

>  <InChI Key>
CNYVJDHTGDPUBS-UHFFFAOYSA-N

