
 CHEMBL490215

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.5707   -2.9281   -1.3724 C   0  0  0  0  0
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    4.0700   -0.3202   -0.0425 C   0  0  0  0  0
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    6.1904   -3.1748   -0.6300 C   0  0  0  0  0
    5.5208   -4.3106   -1.1283 C   0  0  0  0  0
    4.2167   -4.1171   -1.3182 N   0  0  0  0  0
    3.9975   -2.8340   -0.9243 N   0  0  0  0  0
    7.5998   -2.9817   -0.3067 C   0  0  0  0  0
    8.5847   -3.7400   -0.9510 C   0  0  0  0  0
    9.9419   -3.5502   -0.6581 C   0  0  0  0  0
   10.3536   -2.5985    0.2875 C   0  0  0  0  0
    9.3680   -1.8445    0.9319 C   0  0  0  0  0
    8.0125   -2.0433    0.6469 C   0  0  0  0  0
   11.8377   -2.3924    0.5399 C   0  0  0  0  0
   12.4134   -1.4074   -0.4809 C   0  0  0  0  0
   12.1794   -1.9363    1.9628 C   0  0  0  0  0
    1.4988   -0.0681   -0.2375 C   0  0  0  0  0
    0.4213   -0.5829    0.0361 O   0  0  0  0  0
    1.6762    1.2914   -0.3306 N   0  0  0  0  0
    0.5809    2.2381   -0.1255 C   0  0  0  0  0
    1.1142    3.4683    0.6075 C   0  0  0  0  0
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    0.9075    3.2415   -2.3099 O   0  0  0  0  0
    0.3329    3.6695   -3.5382 C   0  0  0  0  0
    0.6959   -2.3059   -1.5713 H   0  0  0  0  0
    1.2919   -3.6891   -0.6365 H   0  0  0  0  0
    1.7946   -3.4311   -2.3199 H   0  0  0  0  0
    4.0678    0.7130    0.3401 H   0  0  0  0  0
    5.9344   -5.2845   -1.3578 H   0  0  0  0  0
    8.3183   -4.4762   -1.7052 H   0  0  0  0  0
   10.6810   -4.1475   -1.1885 H   0  0  0  0  0
    9.6284   -1.0822    1.6609 H   0  0  0  0  0
    7.2857   -1.4413    1.1864 H   0  0  0  0  0
   12.3364   -3.3609    0.3991 H   0  0  0  0  0
   11.9405   -0.4220   -0.3980 H   0  0  0  0  0
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   13.4911   -1.2790   -0.3325 H   0  0  0  0  0
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   13.2644   -1.9428    2.1160 H   0  0  0  0  0
   11.7320   -2.6011    2.7098 H   0  0  0  0  0
    2.4769    1.6626   -0.8282 H   0  0  0  0  0
   -0.1798    1.7632    0.5051 H   0  0  0  0  0
    1.9175    3.9596    0.0471 H   0  0  0  0  0
    1.5265    3.1846    1.5825 H   0  0  0  0  0
    0.3170    4.1992    0.7775 H   0  0  0  0  0
   -0.9030    3.3021   -1.2965 H   0  0  0  0  0
   -0.4456    1.7135   -1.9693 H   0  0  0  0  0
    1.1205    4.1208   -4.1471 H   0  0  0  0  0
   -0.4409    4.4212   -3.3552 H   0  0  0  0  0
   -0.0875    2.8187   -4.0822 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
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  1 30  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
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 20 22  1  0  0  0
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 22 44  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL490215

>  <PubChem CID>
44580007

>  <Formula>
C21H26N4O2

>  <Molecular Weight>
366.465000

>  <IUPAC Name>
N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)C(C)C)C(=O)NC(C)COC

>  <Isomeric SMILES>
CC1=C(C=NC2=C(C=NN12)C3=CC=C(C=C3)C(C)C)C(=O)NC(C)COC

>  <InChI Std. ID>
InChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26)

>  <InChI Key>
CGGPQQYOXKBDOB-UHFFFAOYSA-N

