
 SCHEMBL17334351

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1335    0.2413   -0.5405 C   0  0  0  0  0
    2.4989    0.0510    0.1207 C   0  0  0  0  0
    2.4837   -1.2024    1.0093 C   0  0  0  0  0
    3.6516   -1.3553    1.8986 N   0  0  0  0  0
    4.1587   -0.2082    2.5584 C   0  0  0  0  0
    4.9226   -0.2301    3.5173 O   0  0  0  0  0
    3.6962    1.0536    2.0316 C   0  0  0  0  0
    3.9447    2.3453    2.4475 C   0  0  0  0  0
    3.2722    3.1775    1.5200 C   0  0  0  0  0
    2.6483    2.4529    0.5758 N   0  0  0  0  0
    2.9126    1.1821    0.9274 N   0  0  0  0  0
    3.2580    4.6834    1.4914 C   0  0  0  0  0
    4.2489    5.2806    0.5916 N   0  0  0  0  0
    4.2913    6.6755    0.4485 C   0  0  0  0  0
    4.7196    7.2309   -0.7736 C   0  0  0  0  0
    4.8695    8.6058   -0.9572 C   0  0  0  0  0
    4.6147    9.4670    0.1046 C   0  0  0  0  0
    4.2240    8.9349    1.3278 C   0  0  0  0  0
    4.0714    7.5591    1.5100 C   0  0  0  0  0
    4.0022    9.7598    2.3600 F   0  0  0  0  0
    4.9783    6.4157   -1.8094 F   0  0  0  0  0
    4.0556   -2.6876    2.2877 C   0  0  0  0  0
    5.3021   -2.9320    2.8912 C   0  0  0  0  0
    5.6948   -4.2221    3.2693 C   0  0  0  0  0
    4.8496   -5.2928    3.0329 C   0  0  0  0  0
    3.6199   -5.0957    2.4260 C   0  0  0  0  0
    3.2260   -3.8025    2.0582 C   0  0  0  0  0
    5.2223   -6.5282    3.3901 F   0  0  0  0  0
    0.8507   -0.6498   -1.1111 H   0  0  0  0  0
    1.1418    1.0898   -1.2328 H   0  0  0  0  0
    0.3528    0.4299    0.2055 H   0  0  0  0  0
    3.2706   -0.0559   -0.6522 H   0  0  0  0  0
    1.5977   -1.2005    1.6586 H   0  0  0  0  0
    2.4191   -2.0599    0.3306 H   0  0  0  0  0
    4.5548    2.6435    3.2899 H   0  0  0  0  0
    3.4256    5.0305    2.5179 H   0  0  0  0  0
    2.2532    5.0148    1.1976 H   0  0  0  0  0
    4.2193    4.8193   -0.3204 H   0  0  0  0  0
    5.1902    8.9866   -1.9212 H   0  0  0  0  0
    4.7305   10.5401   -0.0059 H   0  0  0  0  0
    3.8038    7.2086    2.4998 H   0  0  0  0  0
    6.0169   -2.1330    3.0684 H   0  0  0  0  0
    6.6572   -4.3883    3.7434 H   0  0  0  0  0
    2.9676   -5.9451    2.2495 H   0  0  0  0  0
    2.2370   -3.7043    1.6217 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 22  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 35  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 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 41  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL17334351

>  <PubChem CID>
118575110

>  <Formula>
C20H17F3N4O

>  <Molecular Weight>
386.378000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)CNC3=C(C=CC(=C3)F)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)CNC3=C(C=CC(=C3)F)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-8-14(22)4-7-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
FFSARCDIJCEKAU-GFCCVEGCSA-N

