
 CHEMBL3617524

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.8033   -0.0267   -0.3947 C   0  0  0  0  0
    2.2234   -0.2136    0.1395 C   0  0  0  0  0
    2.2484   -1.3108    1.2120 C   0  0  0  0  0
    3.5301   -1.4457    1.9357 N   0  0  0  0  0
    4.2485   -0.2705    2.2822 C   0  0  0  0  0
    5.2039   -0.2325    3.0502 O   0  0  0  0  0
    3.7502    0.9471    1.6870 C   0  0  0  0  0
    4.0781    2.2674    1.9154 C   0  0  0  0  0
    3.2344    3.0224    1.0612 C   0  0  0  0  0
    2.4539    2.2187    0.3189 N   0  0  0  0  0
    2.7947    0.9847    0.7205 N   0  0  0  0  0
    3.1195    4.5163    0.9608 C   0  0  0  0  0
    4.3722    5.1560    1.2344 O   0  0  0  0  0
    4.2919    6.5326    1.1762 C   0  0  0  0  0
    5.4915    7.2200    1.2819 C   0  0  0  0  0
    5.4646    8.6091    1.2193 C   0  0  0  0  0
    4.2432    9.2545    1.0622 C   0  0  0  0  0
    3.0949    8.4807    0.9919 C   0  0  0  0  0
    3.0907    7.1316    1.0397 N   0  0  0  0  0
    1.9060    9.1683    0.8475 O   0  0  0  0  0
    0.7633    8.3504    1.0766 C   0  0  0  0  0
    3.8502   -2.7295    2.5198 C   0  0  0  0  0
    5.1412   -3.0311    2.9888 C   0  0  0  0  0
    5.4401   -4.2701    3.5708 C   0  0  0  0  0
    4.4534   -5.2355    3.6764 C   0  0  0  0  0
    3.1742   -4.9848    3.2088 C   0  0  0  0  0
    2.8763   -3.7417    2.6364 C   0  0  0  0  0
    4.7358   -6.4199    4.2329 F   0  0  0  0  0
    0.4080   -0.9701   -0.7857 H   0  0  0  0  0
    0.7800    0.7055   -1.2091 H   0  0  0  0  0
    0.1252    0.3275    0.3901 H   0  0  0  0  0
    2.8920   -0.4880   -0.6865 H   0  0  0  0  0
    1.4780   -1.1209    1.9712 H   0  0  0  0  0
    2.0166   -2.2511    0.6994 H   0  0  0  0  0
    4.8093    2.6374    2.6218 H   0  0  0  0  0
    2.3647    4.8341    1.6924 H   0  0  0  0  0
    2.7851    4.7812   -0.0510 H   0  0  0  0  0
    6.4257    6.6835    1.4035 H   0  0  0  0  0
    6.3844    9.1821    1.2917 H   0  0  0  0  0
    4.1823   10.3354    1.0068 H   0  0  0  0  0
   -0.1237    8.9855    0.9891 H   0  0  0  0  0
    0.7752    7.9334    2.0898 H   0  0  0  0  0
    0.6796    7.5572    0.3257 H   0  0  0  0  0
    5.9605   -2.3225    2.9019 H   0  0  0  0  0
    6.4404   -4.4784    3.9382 H   0  0  0  0  0
    2.4099   -5.7501    3.3013 H   0  0  0  0  0
    1.8477   -3.5890    2.3255 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 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 20  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>
CHEMBL3617524

>  <PubChem CID>
122190340

>  <Formula>
C20H19FN4O3

>  <Molecular Weight>
382.395000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

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

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

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

>  <InChI Key>
DRVFUWPHGJGANW-CYBMUJFWSA-N

