
 SCHEMBL17334380

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.3197   -0.8067   -1.3855 C   0  0  0  0  0
    3.5052   -0.3356   -0.7579 O   0  0  0  0  0
    3.8272    0.9783   -0.9532 C   0  0  0  0  0
    3.0989    1.9038   -1.6945 C   0  0  0  0  0
    3.5540    3.2255   -1.8105 C   0  0  0  0  0
    4.7501    3.6490   -1.2137 C   0  0  0  0  0
    5.4438    2.7171   -0.4366 C   0  0  0  0  0
    4.9976    1.3949   -0.3221 C   0  0  0  0  0
    5.0987    4.9997   -1.3104 N   0  0  0  0  0
    6.4524    5.4262   -0.9460 C   0  0  0  0  0
    6.7613    6.8851   -1.1696 C   0  0  0  0  0
    7.8307    7.2709   -1.8870 N   0  0  0  0  0
    7.7862    8.6072   -1.8131 N   0  0  0  0  0
    8.7672    9.4429   -2.4555 C   0  0  0  0  0
    8.9299   10.7135   -1.6297 C   0  0  0  0  0
    7.6514   11.3506   -1.2498 N   0  0  0  0  0
    6.5653   10.5244   -0.8457 C   0  0  0  0  0
    5.5399   10.9267   -0.3076 O   0  0  0  0  0
    6.7606    9.1104   -1.0804 C   0  0  0  0  0
    6.0435    8.0055   -0.6725 C   0  0  0  0  0
    7.6364   12.7781   -1.0330 C   0  0  0  0  0
    6.4349   13.5042   -0.9798 C   0  0  0  0  0
    6.4244   14.8880   -0.7631 C   0  0  0  0  0
    7.6208   15.5679   -0.6096 C   0  0  0  0  0
    8.8274   14.8893   -0.6701 C   0  0  0  0  0
    8.8340   13.5045   -0.8802 C   0  0  0  0  0
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    1.4366   -0.2904   -0.9961 H   0  0  0  0  0
    2.1689    1.6409   -2.1871 H   0  0  0  0  0
    2.9513    3.9337   -2.3755 H   0  0  0  0  0
    6.3489    2.9875    0.0964 H   0  0  0  0  0
    5.5668    0.6873    0.2751 H   0  0  0  0  0
    4.8077    5.4040   -2.1973 H   0  0  0  0  0
    7.1831    4.8264   -1.5045 H   0  0  0  0  0
    6.6175    5.2355    0.1224 H   0  0  0  0  0
    9.7134    8.8974   -2.5311 H   0  0  0  0  0
    8.3912    9.6633   -3.4605 H   0  0  0  0  0
    9.4638   10.4882   -0.6968 H   0  0  0  0  0
    9.5358   11.4005   -2.2289 H   0  0  0  0  0
    5.1451    8.0010   -0.0692 H   0  0  0  0  0
    5.4716   13.0226   -1.1250 H   0  0  0  0  0
    5.4862   15.4308   -0.7163 H   0  0  0  0  0
    9.7573   15.4357   -0.5423 H   0  0  0  0  0
    9.8053   13.0190   -0.8785 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 29  1  0  0  0
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  3  8  1  0  0  0
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  5  6  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334380

>  <PubChem CID>
118575139

>  <Formula>
C20H19FN4O2

>  <Molecular Weight>
366.396000

>  <IUPAC Name>
5-(4-fluorophenyl)-2-[(4-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=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
COC1=CC=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

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

>  <InChI Key>
CAJIQRIIKCDRHZ-UHFFFAOYSA-N

