
 CHEMBL3617630

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.8234   -0.0888   -0.3952 C   0  0  0  0  0
    2.2562   -0.2137    0.1237 C   0  0  0  0  0
    2.3553   -1.3527    1.1485 C   0  0  0  0  0
    3.6328   -1.4330    1.8876 N   0  0  0  0  0
    4.2788   -0.2302    2.2748 C   0  0  0  0  0
    5.2290   -0.1524    3.0428 O   0  0  0  0  0
    3.7144    0.9759    1.7106 C   0  0  0  0  0
    3.9736    2.3027    1.9806 C   0  0  0  0  0
    3.1127    3.0396    1.1316 C   0  0  0  0  0
    2.3876    2.2229    0.3500 N   0  0  0  0  0
    2.7598    0.9946    0.7442 N   0  0  0  0  0
    2.9710    4.5315    1.0553 C   0  0  0  0  0
    1.9844    4.9868    1.9886 O   0  0  0  0  0
    1.8197    6.3540    1.9701 C   0  0  0  0  0
    2.7187    7.1323    1.3291 N   0  0  0  0  0
    2.5035    8.4702    1.3805 C   0  0  0  0  0
    1.4339    9.0581    2.0397 C   0  0  0  0  0
    0.5272    8.2321    2.6931 C   0  0  0  0  0
    0.7255    6.8526    2.6634 C   0  0  0  0  0
    1.2331   10.7617    2.0525 Cl  0  0  0  0  0
    4.0174   -2.7165    2.4544 C   0  0  0  0  0
    5.3096   -2.9393    2.9630 C   0  0  0  0  0
    5.6828   -4.1669    3.5320 C   0  0  0  0  0
    4.7817   -5.2217    3.5851 C   0  0  0  0  0
    3.5033   -5.0444    3.0721 C   0  0  0  0  0
    3.1318   -3.8125    2.5251 C   0  0  0  0  0
    1.8573   -3.7137    2.1137 F   0  0  0  0  0
    0.4773   -1.0397   -0.8128 H   0  0  0  0  0
    0.7538    0.6654   -1.1863 H   0  0  0  0  0
    0.1336    0.2040    0.4042 H   0  0  0  0  0
    2.9327   -0.4159   -0.7165 H   0  0  0  0  0
    1.5621   -1.2566    1.9011 H   0  0  0  0  0
    2.2086   -2.2764    0.5793 H   0  0  0  0  0
    4.6830    2.6860    2.7053 H   0  0  0  0  0
    2.6795    4.8150    0.0354 H   0  0  0  0  0
    3.9475    4.9771    1.2860 H   0  0  0  0  0
    3.2421    9.0726    0.8593 H   0  0  0  0  0
   -0.3247    8.6483    3.2221 H   0  0  0  0  0
    0.0402    6.1784    3.1653 H   0  0  0  0  0
    6.0799   -2.1755    2.9223 H   0  0  0  0  0
    6.6868   -4.2885    3.9322 H   0  0  0  0  0
    5.0707   -6.1715    4.0263 H   0  0  0  0  0
    2.7793   -5.8528    3.1047 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  3  1  0  0  0
  2 11  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 21  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 34  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 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617630

>  <PubChem CID>
122190407

>  <Formula>
C19H16ClFN4O2

>  <Molecular Weight>
386.811000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=CC=CC=C4F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-3-2-4-15(16)21)19(26)17-8-14(23-25(12)17)11-27-18-7-6-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
DLROKLGBBZKUNE-GFCCVEGCSA-N

