
 SCHEMBL17334300

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.1289    0.1036   -0.5329 C   0  0  0  0  0
    2.5098   -0.0792    0.0972 C   0  0  0  0  0
    2.5119   -1.3069    1.0233 C   0  0  0  0  0
    3.7165   -1.4558    1.8653 N   0  0  0  0  0
    4.2911   -0.2970    2.4440 C   0  0  0  0  0
    5.1237   -0.2989    3.3471 O   0  0  0  0  0
    3.8006    0.9544    1.9239 C   0  0  0  0  0
    4.0532    2.2483    2.3241 C   0  0  0  0  0
    3.2926    3.0674    1.4563 C   0  0  0  0  0
    2.6301    2.3336    0.5438 N   0  0  0  0  0
    2.9564    1.0676    0.8638 N   0  0  0  0  0
    3.1899    4.5699    1.4942 C   0  0  0  0  0
    3.6443    5.2641    0.2863 N   0  0  0  0  0
    3.5098    6.6553    0.2263 C   0  0  0  0  0
    3.6144    7.4857    1.3476 C   0  0  0  0  0
    3.5531    8.8785    1.2267 C   0  0  0  0  0
    3.3973    9.4757   -0.0208 C   0  0  0  0  0
    3.3521    8.6697   -1.1546 C   0  0  0  0  0
    3.4241    7.2749   -1.0278 C   0  0  0  0  0
    3.3479   10.8416   -0.0097 O   0  0  0  0  0
    2.7055   11.4461   -1.1255 C   0  0  0  0  0
    4.0790   -2.7788    2.3252 C   0  0  0  0  0
    5.3341   -3.0410    2.9033 C   0  0  0  0  0
    5.6731   -4.3138    3.3786 C   0  0  0  0  0
    4.7656   -5.3524    3.2622 C   0  0  0  0  0
    3.5290   -5.1411    2.6741 C   0  0  0  0  0
    3.1889   -3.8640    2.2092 C   0  0  0  0  0
    5.0839   -6.5698    3.7189 F   0  0  0  0  0
    0.8234   -0.8014   -1.0685 H   0  0  0  0  0
    1.1270    0.9307   -1.2509 H   0  0  0  0  0
    0.3700    0.3220    0.2271 H   0  0  0  0  0
    3.2593   -0.2135   -0.6934 H   0  0  0  0  0
    1.6553   -1.2667    1.7096 H   0  0  0  0  0
    2.4051   -2.1858    0.3775 H   0  0  0  0  0
    4.6952    2.5542    3.1395 H   0  0  0  0  0
    3.7742    4.9107    2.3573 H   0  0  0  0  0
    2.1397    4.8261    1.6885 H   0  0  0  0  0
    3.2684    4.7935   -0.5354 H   0  0  0  0  0
    3.7618    7.0766    2.3414 H   0  0  0  0  0
    3.6310    9.4989    2.1158 H   0  0  0  0  0
    3.2883    9.0916   -2.1516 H   0  0  0  0  0
    3.4132    6.6693   -1.9309 H   0  0  0  0  0
    2.5904   12.5118   -0.9056 H   0  0  0  0  0
    1.7055   11.0271   -1.2821 H   0  0  0  0  0
    3.3162   11.3580   -2.0293 H   0  0  0  0  0
    6.0954   -2.2700    2.9899 H   0  0  0  0  0
    6.6411   -4.4902    3.8373 H   0  0  0  0  0
    2.8285   -5.9663    2.5911 H   0  0  0  0  0
    2.1927   -3.7497    1.7945 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 22  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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 27 49  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL17334300

>  <PubChem CID>
118575060

>  <Formula>
C21H21FN4O2

>  <Molecular Weight>
380.423000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)CNC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)CNC3=CC=C(C=C3)OC)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H21FN4O2/c1-14-13-25(18-7-3-15(22)4-8-18)21(27)20-11-17(24-26(14)20)12-23-16-5-9-19(28-2)10-6-16/h3-11,14,23H,12-13H2,1-2H3/t14-/m1/s1

>  <InChI Key>
BBHUQRSQISOABZ-CQSZACIVSA-N

