
 CHEMBL1258722

 59 61  0  0  0  0  0  0  0  0999 V2000
    3.3586   -0.1272   -3.9516 C   0  0  0  0  0
    4.3726    0.3461   -2.9249 C   0  0  0  0  0
    3.6991    0.8084   -1.6351 C   0  0  0  0  0
    4.6748    1.2427   -0.6843 O   0  0  0  0  0
    5.1860    2.5017   -0.8368 C   0  0  0  0  0
    6.5112    2.6618   -0.4259 C   0  0  0  0  0
    7.1395    3.9077   -0.5198 C   0  0  0  0  0
    6.4410    5.0172   -1.0064 C   0  0  0  0  0
    5.1107    4.8528   -1.4118 C   0  0  0  0  0
    4.4822    3.6050   -1.3153 C   0  0  0  0  0
    7.1086    6.3126   -1.1310 C   0  0  0  0  0
    8.3022    6.3860   -1.7370 N   0  0  0  0  0
    8.6234    7.6984   -1.7538 N   0  0  0  0  0
    9.7773    8.2931   -2.2854 C   0  0  0  0  0
    9.9029    9.6310   -2.2378 C   0  0  0  0  0
    8.7723   10.3842   -1.6109 C   0  0  0  0  0
    7.7076    9.8409   -1.0953 N   0  0  0  0  0
    7.6287    8.4763   -1.1586 C   0  0  0  0  0
    6.6626    7.5992   -0.7034 C   0  0  0  0  0
    5.4379    7.9653    0.0678 C   0  0  0  0  0
    5.6772    7.8739    1.5719 C   0  0  0  0  0
    5.8904    6.7710    2.0883 O   0  0  0  0  0
    5.6138    9.0294    2.3465 N   0  0  0  0  0
    5.7569    8.8948    3.7963 C   0  0  0  0  0
    7.2115    8.9658    4.2344 C   0  0  0  0  0
    5.4772   10.3888    1.8220 C   0  0  0  0  0
    4.0190   10.8086    1.7236 C   0  0  0  0  0
    8.8766   11.8888   -1.5879 C   0  0  0  0  0
   10.8197    7.3992   -2.8799 C   0  0  0  0  0
    3.8687   -0.4896   -4.8502 H   0  0  0  0  0
    2.6918    0.6898   -4.2469 H   0  0  0  0  0
    2.7469   -0.9443   -3.5553 H   0  0  0  0  0
    4.9740    1.1556   -3.3533 H   0  0  0  0  0
    5.0752   -0.4641   -2.6967 H   0  0  0  0  0
    3.1864   -0.0462   -1.1778 H   0  0  0  0  0
    2.9207    1.5546   -1.8184 H   0  0  0  0  0
    7.0637    1.8090   -0.0398 H   0  0  0  0  0
    8.1775    4.0084   -0.2099 H   0  0  0  0  0
    4.5509    5.6897   -1.8189 H   0  0  0  0  0
    3.4410    3.5385   -1.6056 H   0  0  0  0  0
   10.7579   10.1692   -2.6225 H   0  0  0  0  0
    4.6109    7.2843   -0.1559 H   0  0  0  0  0
    5.0747    8.9447   -0.2469 H   0  0  0  0  0
    5.3308    7.9384    4.1189 H   0  0  0  0  0
    5.1732    9.6828    4.2849 H   0  0  0  0  0
    7.8027    8.1669    3.7744 H   0  0  0  0  0
    7.2859    8.8633    5.3219 H   0  0  0  0  0
    7.6645    9.9215    3.9501 H   0  0  0  0  0
    5.9550   10.4637    0.8438 H   0  0  0  0  0
    6.0194   11.0766    2.4813 H   0  0  0  0  0
    3.4512   10.1321    1.0777 H   0  0  0  0  0
    3.9416   11.8200    1.3139 H   0  0  0  0  0
    3.5420   10.8024    2.7088 H   0  0  0  0  0
    9.8167   12.2349   -2.0257 H   0  0  0  0  0
    8.8166   12.2403   -0.5536 H   0  0  0  0  0
    8.0447   12.3147   -2.1577 H   0  0  0  0  0
   11.6766    7.9693   -3.2542 H   0  0  0  0  0
   10.4094    6.8296   -3.7205 H   0  0  0  0  0
   11.1963    6.6946   -2.1306 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
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 19 20  1  0  0  0
 20 21  1  0  0  0
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 21 23  1  0  0  0
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 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1258722

>  <PubChem CID>
46945445

>  <Formula>
C23H30N4O2

>  <Molecular Weight>
394.519000

>  <IUPAC Name>
2-[5,7-dimethyl-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCOC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2CC(=O)N(CC)CC)C)C

>  <Isomeric SMILES>
CCCOC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2CC(=O)N(CC)CC)C)C

>  <InChI Std. ID>
InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3

>  <InChI Key>
FZPKLZHGBRKKCP-UHFFFAOYSA-N

