
 BDBM196629

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.1657    0.1148   -0.3817 C   0  0  0  0  0
    2.5571   -0.1371    0.1989 C   0  0  0  0  0
    2.5227   -1.3448    1.1502 C   0  0  0  0  0
    3.7453   -1.5448    1.9542 N   0  0  0  0  0
    4.3911   -0.4096    2.5023 C   0  0  0  0  0
    5.2472   -0.4405    3.3798 O   0  0  0  0  0
    3.9617    0.8581    1.9624 C   0  0  0  0  0
    4.3096    2.1443    2.3168 C   0  0  0  0  0
    3.6234    2.9864    1.4086 C   0  0  0  0  0
    2.8913    2.2715    0.5363 N   0  0  0  0  0
    3.0998    0.9976    0.9198 N   0  0  0  0  0
    3.6866    4.4912    1.3488 C   0  0  0  0  0
    2.4027    5.1888    1.4706 N   0  0  0  0  0
    2.3924    6.5915    1.3731 C   0  0  0  0  0
    1.2760    7.2441    0.8183 C   0  0  0  0  0
    1.1886    8.6386    0.7805 C   0  0  0  0  0
    2.2095    9.4156    1.3227 C   0  0  0  0  0
    3.3090    8.7921    1.9086 C   0  0  0  0  0
    3.3910    7.3942    1.9422 C   0  0  0  0  0
   -0.1756    9.4156    0.0740 Cl  0  0  0  0  0
    0.2852    6.4985    0.2978 F   0  0  0  0  0
    4.0696   -2.8822    2.4007 C   0  0  0  0  0
    5.3323   -3.1968    2.9343 C   0  0  0  0  0
    5.6410   -4.4873    3.3827 C   0  0  0  0  0
    4.6931   -5.4914    3.2852 C   0  0  0  0  0
    3.4448   -5.2274    2.7459 C   0  0  0  0  0
    3.1355   -3.9327    2.3083 C   0  0  0  0  0
    4.9839   -6.7261    3.7130 F   0  0  0  0  0
    0.7885   -0.7809   -0.8869 H   0  0  0  0  0
    1.1825    0.9272   -1.1159 H   0  0  0  0  0
    0.4508    0.3900    0.4020 H   0  0  0  0  0
    3.2655   -0.3322   -0.6163 H   0  0  0  0  0
    1.6941   -1.2453    1.8639 H   0  0  0  0  0
    2.3440   -2.2264    0.5245 H   0  0  0  0  0
    4.9833    2.4290    3.1136 H   0  0  0  0  0
    4.1616    4.7683    0.3985 H   0  0  0  0  0
    4.3580    4.8145    2.1533 H   0  0  0  0  0
    1.7172    4.7629    0.8427 H   0  0  0  0  0
    2.1485   10.5002    1.3054 H   0  0  0  0  0
    4.0989    9.3910    2.3566 H   0  0  0  0  0
    4.2440    6.9518    2.4486 H   0  0  0  0  0
    6.1240   -2.4553    3.0031 H   0  0  0  0  0
    6.6173   -4.7051    3.8041 H   0  0  0  0  0
    2.7117   -6.0253    2.6782 H   0  0  0  0  0
    2.1292   -3.7772    1.9325 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 20  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  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>
BDBM196629

>  <PubChem CID>
134814145

>  <Formula>
C20H17ClF2N4O

>  <Molecular Weight>
402.830000

>  <IUPAC Name>
(7R)-2-[(3-chloro-2-fluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C20H17ClF2N4O/c1-12-11-26(15-7-5-13(22)6-8-15)20(28)18-9-14(25-27(12)18)10-24-17-4-2-3-16(21)19(17)23/h2-9,12,24H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
DOGOFKUFACMXBH-GFCCVEGCSA-N

