
 CHEMBL3747116

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.6058    0.4372   -0.6308 C   0  0  0  0  0
   -1.5250    1.1928    0.1257 C   0  0  0  0  0
   -0.2484    0.6041   -0.1858 N   0  0  0  0  0
   -0.0994   -0.7139   -0.4926 C   0  0  0  0  0
    1.2684   -0.8984   -0.5893 C   0  0  0  0  0
    1.8202    0.3696   -0.3370 C   0  0  0  0  0
    0.8913    1.3021   -0.1129 N   0  0  0  0  0
    3.1383    0.6528   -0.2636 O   0  0  0  0  0
    3.4421    2.0362   -0.0870 C   0  0  0  0  0
    4.8342    2.1573    0.4896 C   0  0  0  0  0
    5.8298    2.8968   -0.1612 C   0  0  0  0  0
    7.0920    3.0434    0.4193 C   0  0  0  0  0
    7.3696    2.4550    1.6530 C   0  0  0  0  0
    6.3878    1.7142    2.3068 C   0  0  0  0  0
    5.1267    1.5670    1.7296 C   0  0  0  0  0
   -1.2059   -1.6341   -0.6177 C   0  0  0  0  0
   -0.9993   -2.8300   -0.7926 O   0  0  0  0  0
   -2.4923   -1.0335   -0.5340 N   0  0  0  0  0
   -3.7024   -1.8195   -0.6128 C   0  0  0  0  0
   -3.7326   -3.1669   -0.2139 C   0  0  0  0  0
   -4.9101   -3.9231   -0.2817 C   0  0  0  0  0
   -6.0773   -3.3368   -0.7399 C   0  0  0  0  0
   -6.0884   -2.0083   -1.1329 C   0  0  0  0  0
   -4.9098   -1.2576   -1.0709 C   0  0  0  0  0
   -7.2039   -4.0572   -0.8025 F   0  0  0  0  0
   -3.5620    0.7757   -0.2217 H   0  0  0  0  0
   -2.5650    0.6894   -1.6979 H   0  0  0  0  0
   -1.6575    1.1050    1.2092 H   0  0  0  0  0
   -1.5097    2.2513   -0.1540 H   0  0  0  0  0
    1.7863   -1.8260   -0.7920 H   0  0  0  0  0
    2.7710    2.5441    0.6181 H   0  0  0  0  0
    3.3801    2.5383   -1.0600 H   0  0  0  0  0
    5.6289    3.3688   -1.1193 H   0  0  0  0  0
    7.8594    3.6215   -0.0892 H   0  0  0  0  0
    8.3506    2.5738    2.1044 H   0  0  0  0  0
    6.6003    1.2550    3.2690 H   0  0  0  0  0
    4.3636    0.9920    2.2503 H   0  0  0  0  0
   -2.8515   -3.6632    0.1846 H   0  0  0  0  0
   -4.9123   -4.9648    0.0259 H   0  0  0  0  0
   -7.0119   -1.5649   -1.4944 H   0  0  0  0  0
   -4.9684   -0.2336   -1.4278 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
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  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
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 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
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3747116

>  <PubChem CID>
72714783

>  <Formula>
C19H16FN3O2

>  <Molecular Weight>
337.354000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(=CC(=N2)OCC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN2C(=CC(=N2)OCC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2

>  <InChI Key>
PVXQBLCMLZKSAX-UHFFFAOYSA-N

