
 SCHEMBL17334378

 46 49  0  0  0  0  0  0  0  0999 V2000
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    3.9446    1.4380   -2.7707 O   0  0  0  0  0
    3.3873    1.7363   -1.5463 C   0  0  0  0  0
    2.5806    2.8504   -1.2888 C   0  0  0  0  0
    2.0583    3.0574   -0.0121 C   0  0  0  0  0
    2.3453    2.1596    1.0109 C   0  0  0  0  0
    3.1552    1.0490    0.7623 C   0  0  0  0  0
    3.6700    0.8038   -0.5170 C   0  0  0  0  0
    4.5697   -0.2450   -0.7820 N   0  0  0  0  0
    4.4151   -1.5256   -0.0858 C   0  0  0  0  0
    5.4433   -2.5737   -0.4343 C   0  0  0  0  0
    5.1553   -3.8887   -0.3953 N   0  0  0  0  0
    6.3089   -4.4651   -0.7604 N   0  0  0  0  0
    6.4747   -5.8952   -0.8090 C   0  0  0  0  0
    7.4926   -6.2262   -1.8937 C   0  0  0  0  0
    8.7237   -5.4048   -1.8550 N   0  0  0  0  0
    8.6176   -4.0251   -1.5217 C   0  0  0  0  0
    9.5206   -3.2026   -1.6306 O   0  0  0  0  0
    7.3153   -3.6066   -1.0603 C   0  0  0  0  0
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    9.9270   -5.9483   -2.4508 C   0  0  0  0  0
   11.1849   -5.3461   -2.2717 C   0  0  0  0  0
   12.3376   -5.8509   -2.8872 C   0  0  0  0  0
   12.2537   -6.9856   -3.6747 C   0  0  0  0  0
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    4.6345   -0.3678   -1.7938 H   0  0  0  0  0
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    6.8267   -6.2098    0.1795 H   0  0  0  0  0
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    7.7436   -7.2851   -1.7713 H   0  0  0  0  0
    7.0430   -6.0772   -2.8838 H   0  0  0  0  0
    7.3018   -1.4057   -0.9299 H   0  0  0  0  0
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   10.9886   -8.5153   -4.4739 H   0  0  0  0  0
    8.9587   -7.6332   -3.4567 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334378

>  <PubChem CID>
118575137

>  <Formula>
C20H19FN4O2

>  <Molecular Weight>
366.396000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
COC1=CC=CC=C1NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H19FN4O2/c1-27-19-5-3-2-4-17(19)22-13-15-12-18-20(26)24(10-11-25(18)23-15)16-8-6-14(21)7-9-16/h2-9,12,22H,10-11,13H2,1H3

>  <InChI Key>
FKPGHMOFUVDODQ-UHFFFAOYSA-N

