
 CHEMBL3617646

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.9493   -0.1987    0.6615 C   0  0  0  0  0
    2.3099    0.1152    0.0410 C   0  0  0  0  0
    3.2871   -1.0639    0.1498 C   0  0  0  0  0
    3.7907   -1.2625    1.5186 N   0  0  0  0  0
    4.2333   -0.1475    2.2638 C   0  0  0  0  0
    4.9620   -0.2232    3.2472 O   0  0  0  0  0
    3.8033    1.1251    1.7370 C   0  0  0  0  0
    4.1099    2.4177    2.1034 C   0  0  0  0  0
    3.3826    3.2450    1.2086 C   0  0  0  0  0
    2.6722    2.5140    0.3320 N   0  0  0  0  0
    2.9275    1.2510    0.7025 N   0  0  0  0  0
    3.3416    4.7435    1.1933 C   0  0  0  0  0
    2.3372    5.2108    2.0985 O   0  0  0  0  0
    2.2654    6.5827    2.1728 C   0  0  0  0  0
    3.1733    7.3455    1.5264 N   0  0  0  0  0
    3.0448    8.6876    1.6739 C   0  0  0  0  0
    2.0555    9.2923    2.4362 C   0  0  0  0  0
    1.1365    8.4805    3.0896 C   0  0  0  0  0
    1.2432    7.0977    2.9575 C   0  0  0  0  0
    1.9671   10.9999    2.5749 Cl  0  0  0  0  0
    4.1744   -2.5787    1.9353 C   0  0  0  0  0
    4.0128   -2.9843    3.2683 C   0  0  0  0  0
    4.3986   -4.2548    3.6998 C   0  0  0  0  0
    4.9611   -5.1552    2.7983 C   0  0  0  0  0
    5.1139   -4.7840    1.4645 C   0  0  0  0  0
    4.7123   -3.5150    1.0421 C   0  0  0  0  0
    4.9078   -3.1981   -0.2474 F   0  0  0  0  0
    3.3909   -2.1877    4.1516 F   0  0  0  0  0
    0.4823   -1.0539    0.1628 H   0  0  0  0  0
    0.2723    0.6578    0.5663 H   0  0  0  0  0
    1.0314   -0.4307    1.7294 H   0  0  0  0  0
    2.1763    0.3783   -1.0149 H   0  0  0  0  0
    2.7898   -1.9756   -0.2018 H   0  0  0  0  0
    4.1600   -0.8716   -0.4878 H   0  0  0  0  0
    4.7646    2.7208    2.9094 H   0  0  0  0  0
    3.1236    5.0908    0.1748 H   0  0  0  0  0
    4.3298    5.1154    1.4952 H   0  0  0  0  0
    3.7867    9.2792    1.1453 H   0  0  0  0  0
    0.3458    8.9091    3.6978 H   0  0  0  0  0
    0.5463    6.4320    3.4552 H   0  0  0  0  0
    4.2466   -4.5312    4.7392 H   0  0  0  0  0
    5.2733   -6.1415    3.1328 H   0  0  0  0  0
    5.5550   -5.4703    0.7473 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 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 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
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
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 19 40  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617646

>  <PubChem CID>
122190423

>  <Formula>
C19H15ClF2N4O2

>  <Molecular Weight>
404.802000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C19H15ClF2N4O2/c1-11-9-25(18-14(21)3-2-4-15(18)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1

>  <InChI Key>
CYHGCAMRFRTVNB-LLVKDONJSA-N

