
 CHEMBL3617618

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.8500   -0.2302    0.3769 C   0  0  0  0  0
    2.2986    0.0469   -0.0172 C   0  0  0  0  0
    3.2167   -1.1491    0.2569 C   0  0  0  0  0
    3.5753   -1.3471    1.6793 N   0  0  0  0  0
    3.8437   -0.2045    2.4829 C   0  0  0  0  0
    4.3394   -0.2322    3.6051 O   0  0  0  0  0
    3.5238    1.0612    1.8661 C   0  0  0  0  0
    3.8073    2.3590    2.2430 C   0  0  0  0  0
    3.3126    3.1732    1.1893 C   0  0  0  0  0
    2.7123    2.4339    0.2434 N   0  0  0  0  0
    2.8305    1.1808    0.7053 N   0  0  0  0  0
    3.4485    4.6606    1.0476 C   0  0  0  0  0
    2.4349    5.3447    1.7928 O   0  0  0  0  0
    2.5636    6.7164    1.7221 C   0  0  0  0  0
    3.5410    7.2653    0.9656 N   0  0  0  0  0
    3.6120    8.6182    0.9610 C   0  0  0  0  0
    2.7571    9.4329    1.6827 C   0  0  0  0  0
    1.7621    8.8479    2.4508 C   0  0  0  0  0
    1.6585    7.4589    2.4696 C   0  0  0  0  0
    2.8878   10.7647    1.6437 F   0  0  0  0  0
    3.9147   -2.6852    2.1170 C   0  0  0  0  0
    4.0131   -3.0180    3.4745 C   0  0  0  0  0
    4.3516   -4.3119    3.8891 C   0  0  0  0  0
    4.5779   -5.3145    2.9532 C   0  0  0  0  0
    4.4649   -5.0300    1.5929 C   0  0  0  0  0
    4.1485   -3.7199    1.1900 C   0  0  0  0  0
    4.7111   -6.1104    0.5802 C   0  0  0  0  0
    0.4502   -1.0783   -0.1899 H   0  0  0  0  0
    0.2176    0.6395    0.1688 H   0  0  0  0  0
    0.7545   -0.4590    1.4442 H   0  0  0  0  0
    2.3372    0.2863   -1.0869 H   0  0  0  0  0
    2.7123   -2.0382   -0.1360 H   0  0  0  0  0
    4.1631   -1.0164   -0.2845 H   0  0  0  0  0
    4.3409    2.6694    3.1309 H   0  0  0  0  0
    3.3784    4.9237   -0.0160 H   0  0  0  0  0
    4.4418    4.9436    1.4203 H   0  0  0  0  0
    4.3973    9.0474    0.3479 H   0  0  0  0  0
    1.0830    9.4676    3.0251 H   0  0  0  0  0
    0.8941    6.9627    3.0578 H   0  0  0  0  0
    3.8136   -2.2925    4.2578 H   0  0  0  0  0
    4.4347   -4.5314    4.9521 H   0  0  0  0  0
    4.8405   -6.3143    3.2900 H   0  0  0  0  0
    4.1266   -3.5316    0.1208 H   0  0  0  0  0
    4.4528   -5.7793   -0.4310 H   0  0  0  0  0
    4.0954   -6.9869    0.8059 H   0  0  0  0  0
    5.7662   -6.3995    0.5860 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
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  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
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  9 10  2  0  0  0
  9 12  1  0  0  0
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 15 16  1  0  0  0
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 22 23  1  0  0  0
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 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617618

>  <PubChem CID>
122190395

>  <Formula>
C20H19FN4O2

>  <Molecular Weight>
366.396000

>  <IUPAC Name>
(7R)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1

>  <InChI Key>
FKKBESIUKQKYJF-CQSZACIVSA-N

