
 CHEMBL3633967

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.7865   -0.0433    0.1487 C   0  0  0  0  0
    2.2845   -0.0981    0.0556 C   0  0  0  0  0
    2.8798   -1.1598   -0.0668 O   0  0  0  0  0
    3.0134    1.1586    0.1095 N   0  0  0  0  0
    2.2939    2.4511    0.2553 C   0  0  0  0  0
    3.1253    3.6188   -0.2830 C   0  0  0  0  0
    4.5130    3.6462    0.3465 C   0  0  0  0  0
    5.1315    2.3444    0.2274 N   0  0  0  0  0
    4.4130    1.1862    0.1110 C   0  0  0  0  0
    5.3569    0.1952   -0.0042 C   0  0  0  0  0
    6.6138    0.8644    0.0489 C   0  0  0  0  0
    6.4602    2.1886    0.2201 N   0  0  0  0  0
    7.9820    0.2557   -0.0537 C   0  0  0  0  0
    7.9725   -0.8770   -0.9301 O   0  0  0  0  0
    9.1626   -1.5212   -1.1298 C   0  0  0  0  0
   10.3912   -1.1679   -0.5821 C   0  0  0  0  0
   11.4958   -1.9445   -0.9017 C   0  0  0  0  0
   11.4513   -3.0230   -1.7107 N   0  0  0  0  0
   10.2477   -3.3421   -2.2288 C   0  0  0  0  0
    9.0897   -2.6289   -1.9703 C   0  0  0  0  0
    0.4813    0.5254    1.0302 H   0  0  0  0  0
    0.3933   -1.0594    0.2499 H   0  0  0  0  0
    0.3738    0.3987   -0.7609 H   0  0  0  0  0
    1.3539    2.4197   -0.3038 H   0  0  0  0  0
    2.0658    2.5955    1.3175 H   0  0  0  0  0
    2.6088    4.5661   -0.0958 H   0  0  0  0  0
    3.2234    3.5120   -1.3713 H   0  0  0  0  0
    4.4634    3.8813    1.4148 H   0  0  0  0  0
    5.1519    4.3802   -0.1548 H   0  0  0  0  0
    5.2100   -0.8674   -0.1311 H   0  0  0  0  0
    8.2936   -0.0556    0.9513 H   0  0  0  0  0
    8.6776    1.0125   -0.4382 H   0  0  0  0  0
   10.5271   -0.3199    0.0750 H   0  0  0  0  0
   12.4780   -1.7097   -0.5017 H   0  0  0  0  0
   10.2368   -4.2127   -2.8775 H   0  0  0  0  0
    8.1495   -2.9312   -2.4156 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633967

>  <PubChem CID>
122195716

>  <Formula>
C14H16N4O2

>  <Molecular Weight>
272.308000

>  <IUPAC Name>
1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)N1CCCN2C1=CC(=N2)COC3=CC=NC=C3

>  <Isomeric SMILES>
CC(=O)N1CCCN2C1=CC(=N2)COC3=CC=NC=C3

>  <InChI Std. ID>
InChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3

>  <InChI Key>
APVFKMKRUZMGMK-UHFFFAOYSA-N

