
 SCHEMBL17334434

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.8151   -0.6079   -2.4474 C   0  0  0  0  0
    3.4741   -1.0240   -1.2101 N   0  0  0  0  0
    2.5436   -1.2180   -0.0640 C   0  0  0  0  0
    1.7126   -2.4827   -0.0034 C   0  0  0  0  0
    0.3696   -2.4575   -0.1053 N   0  0  0  0  0
    0.0298   -3.7526   -0.0095 N   0  0  0  0  0
   -1.3396   -4.1974   -0.0025 C   0  0  0  0  0
   -1.3991   -5.6001   -0.5978 C   0  0  0  0  0
   -0.3749   -6.5385   -0.0830 N   0  0  0  0  0
    0.9294   -6.0454    0.1964 C   0  0  0  0  0
    1.9077   -6.7416    0.4529 O   0  0  0  0  0
    1.0690   -4.6123    0.1274 C   0  0  0  0  0
    2.1854   -3.8089    0.1821 C   0  0  0  0  0
   -0.6412   -7.9602   -0.1763 C   0  0  0  0  0
    0.1699   -8.9147    0.4636 C   0  0  0  0  0
   -0.0654  -10.2897    0.3328 C   0  0  0  0  0
   -1.1355  -10.7326   -0.4243 C   0  0  0  0  0
   -1.9758   -9.8251   -1.0472 C   0  0  0  0  0
   -1.7297   -8.4513   -0.9242 C   0  0  0  0  0
   -1.3616  -12.0456   -0.5553 F   0  0  0  0  0
    4.4921   -1.9932   -1.3089 C   0  0  0  0  0
    5.4181   -2.1152   -0.2554 C   0  0  0  0  0
    6.4277   -3.0854   -0.2682 C   0  0  0  0  0
    6.5436   -3.9591   -1.3444 C   0  0  0  0  0
    5.6578   -3.8515   -2.4112 C   0  0  0  0  0
    4.6557   -2.8791   -2.3930 C   0  0  0  0  0
    3.8165   -2.8516   -3.4408 F   0  0  0  0  0
    3.5489   -0.3741   -3.2272 H   0  0  0  0  0
    2.2494    0.3136   -2.2719 H   0  0  0  0  0
    2.1147   -1.3643   -2.8158 H   0  0  0  0  0
    1.8594   -0.3581   -0.0412 H   0  0  0  0  0
    3.1022   -1.1385    0.8776 H   0  0  0  0  0
   -1.6693   -4.1936    1.0423 H   0  0  0  0  0
   -1.9512   -3.4961   -0.5782 H   0  0  0  0  0
   -2.4005   -5.9860   -0.3813 H   0  0  0  0  0
   -1.2631   -5.5476   -1.6854 H   0  0  0  0  0
    3.2062   -4.1440    0.3020 H   0  0  0  0  0
    1.0048   -8.6276    1.0970 H   0  0  0  0  0
    0.5864  -11.0081    0.8206 H   0  0  0  0  0
   -2.8111  -10.1876   -1.6379 H   0  0  0  0  0
   -2.3991   -7.7933   -1.4678 H   0  0  0  0  0
    5.3669   -1.4346    0.5913 H   0  0  0  0  0
    7.1220   -3.1540    0.5656 H   0  0  0  0  0
    7.3210   -4.7183   -1.3534 H   0  0  0  0  0
    5.7289   -4.5252   -3.2593 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 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL17334434

>  <PubChem CID>
118575194

>  <Formula>
C20H18F2N4O

>  <Molecular Weight>
368.388000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=C(C=C3)F)C4=CC=CC=C4F

>  <Isomeric SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=C(C=C3)F)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C20H18F2N4O/c1-24(18-5-3-2-4-17(18)22)13-15-12-19-20(27)25(10-11-26(19)23-15)16-8-6-14(21)7-9-16/h2-9,12H,10-11,13H2,1H3

>  <InChI Key>
BFMGYYXZYSVQBE-UHFFFAOYSA-N

