
 CHEMBL3745812

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.3509    0.2864   -0.4787 C   0  0  0  0  0
   -1.2491    1.0070    0.2870 C   0  0  0  0  0
   -0.0197    0.2727    0.1308 N   0  0  0  0  0
    0.0169   -1.0681   -0.0813 C   0  0  0  0  0
    1.3602   -1.3831   -0.1087 C   0  0  0  0  0
    2.0427   -0.1538    0.0906 C   0  0  0  0  0
    1.1769    0.8630    0.2471 N   0  0  0  0  0
    3.5200    0.0876    0.1794 C   0  0  0  0  0
    4.2659   -0.8705   -0.5809 O   0  0  0  0  0
    5.6271   -0.7288   -0.5879 C   0  0  0  0  0
    6.3080   -1.6775   -1.3601 C   0  0  0  0  0
    7.7003   -1.6481   -1.4567 C   0  0  0  0  0
    8.4093   -0.6662   -0.7782 C   0  0  0  0  0
    7.7503    0.2826   -0.0060 C   0  0  0  0  0
    6.3556    0.2528    0.0909 C   0  0  0  0  0
    9.7449   -0.6326   -0.8678 F   0  0  0  0  0
   -1.1658   -1.8885   -0.2031 C   0  0  0  0  0
   -1.0683   -3.1103   -0.2789 O   0  0  0  0  0
   -2.3910   -1.1703   -0.2380 N   0  0  0  0  0
   -3.6640   -1.8466   -0.2970 C   0  0  0  0  0
   -3.8347   -3.1351    0.2391 C   0  0  0  0  0
   -5.0728   -3.7882    0.1956 C   0  0  0  0  0
   -6.1628   -3.1538   -0.3762 C   0  0  0  0  0
   -6.0360   -1.8799   -0.9065 C   0  0  0  0  0
   -4.7950   -1.2322   -0.8677 C   0  0  0  0  0
   -7.3486   -3.7742   -0.4164 F   0  0  0  0  0
   -3.2942    0.7540   -0.1792 H   0  0  0  0  0
   -2.2134    0.4265   -1.5585 H   0  0  0  0  0
   -1.4648    1.0413    1.3603 H   0  0  0  0  0
   -1.1087    2.0253   -0.0892 H   0  0  0  0  0
    1.7909   -2.3662   -0.2472 H   0  0  0  0  0
    3.8072    0.0215    1.2365 H   0  0  0  0  0
    3.7315    1.0962   -0.1981 H   0  0  0  0  0
    5.7477   -2.4440   -1.8910 H   0  0  0  0  0
    8.2309   -2.3813   -2.0551 H   0  0  0  0  0
    8.3255    1.0413    0.5158 H   0  0  0  0  0
    5.8753    1.0095    0.7026 H   0  0  0  0  0
   -3.0181   -3.6607    0.7277 H   0  0  0  0  0
   -5.1839   -4.7853    0.6102 H   0  0  0  0  0
   -6.8994   -1.3989   -1.3556 H   0  0  0  0  0
   -4.7438   -0.2523   -1.3317 H   0  0  0  0  0
  1 19  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
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4 17  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  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 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3745812

>  <PubChem CID>
67974346

>  <Formula>
C19H15F2N3O2

>  <Molecular Weight>
355.345000

>  <IUPAC Name>
2-[(4-fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2

>  <InChI Key>
GKAKWEIIOGWJTD-UHFFFAOYSA-N

