
 CHEMBL3617619

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.0664    0.1550   -0.5006 C   0  0  0  0  0
    2.4670   -0.0017    0.0933 C   0  0  0  0  0
    2.5076   -1.2108    1.0392 C   0  0  0  0  0
    3.7229   -1.3195    1.8699 N   0  0  0  0  0
    4.2724   -0.1404    2.4339 C   0  0  0  0  0
    5.1019   -0.1108    3.3372 O   0  0  0  0  0
    3.7698    1.0936    1.8796 C   0  0  0  0  0
    4.0233    2.4042    2.2256 C   0  0  0  0  0
    3.2806    3.1905    1.3099 C   0  0  0  0  0
    2.6165    2.4165    0.4357 N   0  0  0  0  0
    2.9183    1.1659    0.8227 N   0  0  0  0  0
    3.2169    4.6884    1.2230 C   0  0  0  0  0
    3.4531    5.2892    2.5034 O   0  0  0  0  0
    3.4433    6.6663    2.4640 C   0  0  0  0  0
    3.2554    7.3076    1.2894 N   0  0  0  0  0
    3.2624    8.6617    1.3358 C   0  0  0  0  0
    3.4486    9.3889    2.4987 C   0  0  0  0  0
    3.6409    8.7092    3.6912 C   0  0  0  0  0
    3.6394    7.3163    3.6763 C   0  0  0  0  0
    3.4437   10.7270    2.4761 F   0  0  0  0  0
    4.1264   -2.6306    2.3296 C   0  0  0  0  0
    5.3877   -2.8566    2.8986 C   0  0  0  0  0
    5.7667   -4.1193    3.3747 C   0  0  0  0  0
    4.8981   -5.2059    3.2795 C   0  0  0  0  0
    3.6531   -5.0111    2.6836 C   0  0  0  0  0
    3.2743   -3.7432    2.2180 C   0  0  0  0  0
    5.3065   -6.5455    3.8136 C   0  0  0  0  0
    0.7590   -0.7599   -1.0180 H   0  0  0  0  0
    1.0311    0.9744   -1.2269 H   0  0  0  0  0
    0.3256    0.3712    0.2780 H   0  0  0  0  0
    3.1953   -0.1417   -0.7155 H   0  0  0  0  0
    1.6577   -1.1804    1.7340 H   0  0  0  0  0
    2.4124   -2.1001    0.4061 H   0  0  0  0  0
    4.6674    2.7459    3.0249 H   0  0  0  0  0
    2.2231    4.9799    0.8584 H   0  0  0  0  0
    3.9836    5.0121    0.5068 H   0  0  0  0  0
    3.1103    9.1666    0.3876 H   0  0  0  0  0
    3.7891    9.2587    4.6144 H   0  0  0  0  0
    3.7870    6.7474    4.5878 H   0  0  0  0  0
    6.1259   -2.0637    2.9805 H   0  0  0  0  0
    6.7497   -4.2387    3.8262 H   0  0  0  0  0
    2.9544   -5.8394    2.5889 H   0  0  0  0  0
    2.2736   -3.6621    1.8063 H   0  0  0  0  0
    4.5042   -7.2828    3.7049 H   0  0  0  0  0
    5.5455   -6.4688    4.8795 H   0  0  0  0  0
    6.1831   -6.9171    3.2738 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  1  0  0  0
  2 11  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 21  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
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
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 12 36  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
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 27 45  1  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617619

>  <PubChem CID>
122190396

>  <Formula>
C20H19FN4O2

>  <Molecular Weight>
366.396000

>  <IUPAC Name>
(7R)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-methyl-5-(4-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)F)C4=CC=C(C=C4)C

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)F)C4=CC=C(C=C4)C

>  <InChI Std. ID>
InChI=1S/C20H19FN4O2/c1-13-3-6-17(7-4-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-8-5-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1

>  <InChI Key>
BPHWUMREZIPGSU-CQSZACIVSA-N

