
 SCHEMBL17334231

 45 48  0  0  0  0  0  0  0  0999 V2000
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    1.5054   -0.8397   -0.1480 C   0  0  0  0  0
    0.5225   -0.7644   -1.1322 C   0  0  0  0  0
    0.5474   -1.6112   -2.2320 C   0  0  0  0  0
    1.5690   -2.5563   -2.3537 C   0  0  0  0  0
    2.5582   -2.6897   -1.3679 C   0  0  0  0  0
    2.5306   -1.7909   -0.2903 C   0  0  0  0  0
    3.5997   -3.5989   -1.5846 N   0  0  0  0  0
    4.3392   -4.1226   -0.4321 C   0  0  0  0  0
    5.3885   -5.1519   -0.7617 C   0  0  0  0  0
    5.0874   -6.4594   -0.8582 N   0  0  0  0  0
    6.2701   -7.0261   -1.1408 N   0  0  0  0  0
    6.4108   -8.4428   -1.3611 C   0  0  0  0  0
    7.8290   -8.8594   -0.9874 C   0  0  0  0  0
    8.8833   -7.9757   -1.5282 N   0  0  0  0  0
    8.6720   -6.5704   -1.5088 C   0  0  0  0  0
    9.5434   -5.7266   -1.6822 O   0  0  0  0  0
    7.3148   -6.1636   -1.2286 C   0  0  0  0  0
    6.7643   -4.9179   -1.0148 C   0  0  0  0  0
   10.1870   -8.5373   -1.7961 C   0  0  0  0  0
   11.1395   -7.8510   -2.5698 C   0  0  0  0  0
   12.4059   -8.3921   -2.8254 C   0  0  0  0  0
   12.7318   -9.6401   -2.3227 C   0  0  0  0  0
   11.8147  -10.3551   -1.5696 C   0  0  0  0  0
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    3.3209   -4.3657   -2.1942 H   0  0  0  0  0
    3.6332   -4.5675    0.2818 H   0  0  0  0  0
    4.8503   -3.3018    0.0856 H   0  0  0  0  0
    5.6717   -8.9759   -0.7550 H   0  0  0  0  0
    6.2090   -8.6213   -2.4226 H   0  0  0  0  0
    7.9445   -8.8583    0.1043 H   0  0  0  0  0
    7.9605   -9.8816   -1.3560 H   0  0  0  0  0
    7.2874   -3.9710   -1.0256 H   0  0  0  0  0
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   12.0874  -11.3308   -1.1800 H   0  0  0  0  0
    9.8902  -10.3944   -0.6799 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334231

>  <PubChem CID>
118574992

>  <Formula>
C20H18F2N4O

>  <Molecular Weight>
368.388000

>  <IUPAC Name>
2-[(4-fluoro-3-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C20H18F2N4O/c1-13-10-15(4-7-18(13)22)23-12-16-11-19-20(27)25(8-9-26(19)24-16)17-5-2-14(21)3-6-17/h2-7,10-11,23H,8-9,12H2,1H3

>  <InChI Key>
AFYPOJKJXMQEOQ-UHFFFAOYSA-N

