
 SCHEMBL17334417

 52 55  0  0  0  0  0  0  0  0999 V2000
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    2.2460    0.1077    0.6879 C   0  0  0  0  0
    3.0732    1.1941    0.9698 C   0  0  0  0  0
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    4.1315   -0.9749   -0.4041 C   0  0  0  0  0
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    6.3852    0.0616   -0.4905 N   0  0  0  0  0
    7.1467    1.3291   -0.4941 C   0  0  0  0  0
    8.3391    1.3457   -1.4459 C   0  0  0  0  0
    9.0711    0.1128   -1.3048 N   0  0  0  0  0
    8.4852   -1.0474   -0.9135 C   0  0  0  0  0
    9.4905   -1.9883   -0.9704 C   0  0  0  0  0
   10.6463   -1.2859   -1.4038 C   0  0  0  0  0
   10.3672    0.0101   -1.6325 N   0  0  0  0  0
   12.0190   -1.8686   -1.6475 C   0  0  0  0  0
   12.9445   -1.9808   -0.4967 N   0  0  0  0  0
   12.5162   -2.9028    0.5524 C   0  0  0  0  0
   13.8280   -0.9466   -0.1847 C   0  0  0  0  0
   14.3447   -0.0811   -1.1613 C   0  0  0  0  0
   15.2840    0.9172   -0.8582 C   0  0  0  0  0
   15.7506    1.0879    0.4397 C   0  0  0  0  0
   15.2579    0.2536    1.4334 C   0  0  0  0  0
   14.3189   -0.7450    1.1189 C   0  0  0  0  0
   16.6725    2.0833    0.5987 O   0  0  0  0  0
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    7.0927   -1.1645   -0.5570 C   0  0  0  0  0
    6.6092   -2.2675   -0.3184 O   0  0  0  0  0
    5.1541    2.2441    0.9432 F   0  0  0  0  0
    0.5440    0.9960    1.6697 H   0  0  0  0  0
    0.6412   -0.7656    1.7994 H   0  0  0  0  0
    0.1512   -0.0034    0.2618 H   0  0  0  0  0
    2.6962    2.0572    1.5119 H   0  0  0  0  0
    4.4782   -1.8380   -0.9674 H   0  0  0  0  0
    2.1651   -1.8360   -0.2514 H   0  0  0  0  0
    7.4912    1.4968    0.5341 H   0  0  0  0  0
    6.4949    2.1548   -0.7981 H   0  0  0  0  0
    9.0052    2.1859   -1.2263 H   0  0  0  0  0
    8.0129    1.4031   -2.4897 H   0  0  0  0  0
    9.3986   -3.0401   -0.7354 H   0  0  0  0  0
   12.4719   -1.3532   -2.4998 H   0  0  0  0  0
   11.8660   -2.8879   -2.0318 H   0  0  0  0  0
   11.9264   -3.7270    0.1353 H   0  0  0  0  0
   11.8961   -2.3938    1.2988 H   0  0  0  0  0
   13.3764   -3.3677    1.0471 H   0  0  0  0  0
   14.0601   -0.1691   -2.2039 H   0  0  0  0  0
   15.6598    1.5544   -1.6547 H   0  0  0  0  0
   15.5787    0.3402    2.4656 H   0  0  0  0  0
   13.9777   -1.3636    1.9436 H   0  0  0  0  0
   17.9678    3.0450    1.8502 H   0  0  0  0  0
   17.7438    1.3319    2.2227 H   0  0  0  0  0
   16.4588    2.5386    2.6197 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
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  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334417

>  <PubChem CID>
118575177

>  <Formula>
C22H23FN4O2

>  <Molecular Weight>
394.450000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N2CCN3C(=CC(=N3)CN(C)C4=CC=C(C=C4)OC)C2=O)F

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N2CCN3C(=CC(=N3)CN(C)C4=CC=C(C=C4)OC)C2=O)F

>  <InChI Std. ID>
InChI=1S/C22H23FN4O2/c1-15-4-9-20(19(23)12-15)26-10-11-27-21(22(26)28)13-16(24-27)14-25(2)17-5-7-18(29-3)8-6-17/h4-9,12-13H,10-11,14H2,1-3H3

>  <InChI Key>
DYELUKMFMGNUIA-UHFFFAOYSA-N

