
 CHEMBL295563

 58 60  0  0  0  0  0  0  0  0999 V2000
    0.7221    1.5144   -1.5228 C   0  0  0  0  0
    2.2357    1.4961   -1.6668 C   0  0  0  0  0
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    7.0991    3.9061    0.5105 C   0  0  0  0  0
    6.5260    5.0688    0.5153 N   0  0  0  0  0
    5.1961    5.0925    0.1886 C   0  0  0  0  0
    4.3180    6.1479    0.0274 C   0  0  0  0  0
    3.0743    5.5547   -0.2741 C   0  0  0  0  0
    3.1492    4.2246   -0.3194 N   0  0  0  0  0
    4.4625    3.9190   -0.0830 N   0  0  0  0  0
    1.7758    6.2275   -0.5282 C   0  0  0  0  0
    4.6691    7.5488    0.1761 C   0  0  0  0  0
    5.5676    8.1889   -0.6899 C   0  0  0  0  0
    5.8291    9.5563   -0.5473 C   0  0  0  0  0
    5.2403   10.2892    0.4850 C   0  0  0  0  0
    4.3550    9.6558    1.3563 C   0  0  0  0  0
    4.0684    8.2946    1.1997 C   0  0  0  0  0
    5.5869   11.6125    0.5197 O   0  0  0  0  0
    5.2927   12.3119    1.7227 C   0  0  0  0  0
    6.1211    7.4876   -1.7326 O   0  0  0  0  0
    7.5471    7.4938   -1.6686 C   0  0  0  0  0
    8.5694    3.8492    0.8438 C   0  0  0  0  0
    0.2502    1.6614   -2.4994 H   0  0  0  0  0
    0.3985    2.3265   -0.8638 H   0  0  0  0  0
    0.3576    0.5686   -1.1088 H   0  0  0  0  0
    2.5635    2.4195   -2.1553 H   0  0  0  0  0
    2.5160    0.6763   -2.3374 H   0  0  0  0  0
    2.6716    0.3268    0.0872 H   0  0  0  0  0
    2.5280    2.0100    0.4410 H   0  0  0  0  0
    4.3487   -0.6259   -0.9436 H   0  0  0  0  0
    5.8413   -0.0973   -0.2135 H   0  0  0  0  0
    6.3723    1.2214   -2.3246 H   0  0  0  0  0
    4.8394    0.7128   -3.0135 H   0  0  0  0  0
    7.1158   -1.1629   -2.1819 H   0  0  0  0  0
    6.7011   -0.6897   -3.8384 H   0  0  0  0  0
    5.5733   -1.6778   -2.8944 H   0  0  0  0  0
    7.0244    1.7226    0.2038 H   0  0  0  0  0
    1.0620    5.5507   -1.0096 H   0  0  0  0  0
    1.9081    7.0939   -1.1839 H   0  0  0  0  0
    1.3362    6.5693    0.4141 H   0  0  0  0  0
    6.4871   10.0628   -1.2473 H   0  0  0  0  0
    3.8575   10.1934    2.1570 H   0  0  0  0  0
    3.3723    7.8181    1.8870 H   0  0  0  0  0
    5.7340   13.3101    1.6440 H   0  0  0  0  0
    5.7421   11.8154    2.5889 H   0  0  0  0  0
    4.2131   12.4358    1.8534 H   0  0  0  0  0
    7.9122    6.6156   -2.2100 H   0  0  0  0  0
    7.9229    7.4355   -0.6404 H   0  0  0  0  0
    7.9428    8.3851   -2.1662 H   0  0  0  0  0
    8.9112    2.8210    0.9835 H   0  0  0  0  0
    8.7552    4.4085    1.7676 H   0  0  0  0  0
    9.1382    4.3070    0.0300 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 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
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  5 37  1  0  0  0
  6  7  1  0  0  0
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  7 40  1  0  0  0
  7 41  1  0  0  0
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  8  9  2  0  0  0
  8 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL295563

>  <PubChem CID>
44290322

>  <Formula>
C22H30N4O2

>  <Molecular Weight>
382.508000

>  <IUPAC Name>
3-(2,4-dimethoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(C=C3)OC)OC)C

>  <Isomeric SMILES>
CCCN(CCC)C1=CC(=NC2=C(C(=NN12)C)C3=C(C=C(C=C3)OC)OC)C

>  <InChI Std. ID>
InChI=1S/C22H30N4O2/c1-7-11-25(12-8-2)20-13-15(3)23-22-21(16(4)24-26(20)22)18-10-9-17(27-5)14-19(18)28-6/h9-10,13-14H,7-8,11-12H2,1-6H3

>  <InChI Key>
YGIHMRSIPWHSFR-UHFFFAOYSA-N

