
 CHEMBL3617516

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.0666   -1.9141    0.7050 C   0  0  0  0  0
    1.3722   -1.9447    1.2218 C   0  0  0  0  0
    1.6972   -3.3233    1.8140 C   0  0  0  0  0
    2.9753   -3.4069    2.5515 N   0  0  0  0  0
    3.3703   -2.3141    3.3658 C   0  0  0  0  0
    4.2799   -2.3413    4.1881 O   0  0  0  0  0
    2.5927   -1.1116    3.1954 C   0  0  0  0  0
    2.6268    0.0866    3.8778 C   0  0  0  0  0
    1.6619    0.9076    3.2462 C   0  0  0  0  0
    1.0660    0.2648    2.2275 N   0  0  0  0  0
    1.6462   -0.9450    2.2343 N   0  0  0  0  0
    1.3397    2.3384    3.5546 C   0  0  0  0  0
    2.2248    3.1822    2.8170 O   0  0  0  0  0
    1.7259    4.4478    2.6371 C   0  0  0  0  0
    2.0917    5.1613    1.4943 C   0  0  0  0  0
    1.6780    6.4909    1.4132 C   0  0  0  0  0
    0.9116    7.0470    2.4334 C   0  0  0  0  0
    0.5913    6.2506    3.5187 C   0  0  0  0  0
    0.9858    4.9658    3.6512 N   0  0  0  0  0
    2.8329    4.7327    0.4271 O   0  0  0  0  0
    2.8056    3.3343    0.1548 C   0  0  0  0  0
    3.6108   -4.7012    2.6742 C   0  0  0  0  0
    4.9314   -4.8377    3.1375 C   0  0  0  0  0
    5.5263   -6.0949    3.3021 C   0  0  0  0  0
    4.8136   -7.2373    2.9811 C   0  0  0  0  0
    3.5218   -7.1439    2.4900 C   0  0  0  0  0
    2.9262   -5.8855    2.3367 C   0  0  0  0  0
    5.3754   -8.4413    3.1454 F   0  0  0  0  0
   -0.2333   -2.7099   -0.0285 H   0  0  0  0  0
   -0.2923   -0.9602    0.2159 H   0  0  0  0  0
   -0.7862   -2.0462    1.5211 H   0  0  0  0  0
    2.0622   -1.7243    0.3972 H   0  0  0  0  0
    0.9109   -3.6299    2.5165 H   0  0  0  0  0
    1.7144   -4.0260    0.9731 H   0  0  0  0  0
    3.2810    0.3394    4.7018 H   0  0  0  0  0
    1.4751    2.5204    4.6281 H   0  0  0  0  0
    0.2886    2.5244    3.2935 H   0  0  0  0  0
    1.9496    7.0893    0.5480 H   0  0  0  0  0
    0.5764    8.0766    2.3808 H   0  0  0  0  0
   -0.0033    6.6396    4.3411 H   0  0  0  0  0
    3.1340    3.1941   -0.8797 H   0  0  0  0  0
    1.7953    2.9181    0.2353 H   0  0  0  0  0
    3.5150    2.8004    0.7939 H   0  0  0  0  0
    5.5461   -3.9734    3.3740 H   0  0  0  0  0
    6.5398   -6.1784    3.6818 H   0  0  0  0  0
    2.9764   -8.0491    2.2420 H   0  0  0  0  0
    1.8991   -5.8776    1.9865 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
  8 35  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
 12 36  1  0  0  0
 12 37  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
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 20 21  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617516

>  <PubChem CID>
122190332

>  <Formula>
C20H19FN4O3

>  <Molecular Weight>
382.395000

>  <IUPAC Name>
(7R)-5-(4-fluorophenyl)-2-[(3-methoxypyridin-2-yl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=C(C=CC=N3)OC)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=C(C=CC=N3)OC)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H19FN4O3/c1-13-11-24(16-7-5-14(21)6-8-16)20(26)17-10-15(23-25(13)17)12-28-19-18(27-2)4-3-9-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1

>  <InChI Key>
FDOYYZCWXGWLBU-CYBMUJFWSA-N

