
 CHEMBL1828896

 53 55  0  0  0  0  0  0  0  0999 V2000
    0.8052    1.6896   -1.6504 C   0  0  0  0  0
    2.3215    1.7042   -1.5304 C   0  0  0  0  0
    2.7596    1.4800   -0.0819 C   0  0  0  0  0
    4.2344    1.4727    0.0461 N   0  0  0  0  0
    4.7826    0.1754    0.4916 C   0  0  0  0  0
    5.0612   -0.7374   -0.7018 C   0  0  0  0  0
    5.6377   -2.0712   -0.2537 C   0  0  0  0  0
    5.0486    2.6426   -0.0791 C   0  0  0  0  0
    6.3891    2.5645   -0.2327 C   0  0  0  0  0
    7.2372    3.8130   -0.2721 C   0  0  0  0  0
    6.6834    5.0045   -0.2418 N   0  0  0  0  0
    5.3296    5.0885   -0.1465 C   0  0  0  0  0
    4.5157    6.1959   -0.1139 C   0  0  0  0  0
    3.2243    5.6921    0.0460 C   0  0  0  0  0
    3.1925    4.3638    0.1113 N   0  0  0  0  0
    4.4966    3.9635   -0.0410 N   0  0  0  0  0
    8.6384    3.7277   -0.3161 N   0  0  0  0  0
    9.3375    2.4566   -0.5036 C   0  0  0  0  0
    9.4097    4.6128    0.5009 C   0  0  0  0  0
   10.5526    5.2855    0.0278 C   0  0  0  0  0
   11.3088    6.0967    0.8818 C   0  0  0  0  0
   10.9464    6.2551    2.2204 C   0  0  0  0  0
    9.7959    5.6303    2.6942 C   0  0  0  0  0
    9.0383    4.8194    1.8435 C   0  0  0  0  0
   11.7769    7.0542    2.9566 O   0  0  0  0  0
   11.6460    6.9663    4.3714 C   0  0  0  0  0
   11.0602    5.1741   -1.6243 Cl  0  0  0  0  0
    0.5042    1.8497   -2.6902 H   0  0  0  0  0
    0.3561    2.4799   -1.0403 H   0  0  0  0  0
    0.3954    0.7285   -1.3230 H   0  0  0  0  0
    2.7011    2.6545   -1.9187 H   0  0  0  0  0
    2.7404    0.9199   -2.1713 H   0  0  0  0  0
    2.3525    0.5106    0.2355 H   0  0  0  0  0
    2.3093    2.1985    0.6092 H   0  0  0  0  0
    4.0824   -0.3145    1.1801 H   0  0  0  0  0
    5.6946    0.3213    1.0829 H   0  0  0  0  0
    5.7613   -0.2567   -1.3945 H   0  0  0  0  0
    4.1373   -0.9183   -1.2627 H   0  0  0  0  0
    6.5733   -1.9302    0.2969 H   0  0  0  0  0
    5.8458   -2.7057   -1.1209 H   0  0  0  0  0
    4.9339   -2.6031    0.3948 H   0  0  0  0  0
    6.8979    1.6177   -0.2978 H   0  0  0  0  0
    4.8364    7.2244   -0.1823 H   0  0  0  0  0
    2.2951    6.2412    0.1274 H   0  0  0  0  0
    8.9510    1.9406   -1.3895 H   0  0  0  0  0
    9.2001    1.8060    0.3681 H   0  0  0  0  0
   10.4153    2.5707   -0.6606 H   0  0  0  0  0
   12.1907    6.6104    0.5070 H   0  0  0  0  0
    9.4506    5.7598    3.7144 H   0  0  0  0  0
    8.1442    4.3437    2.2411 H   0  0  0  0  0
   12.4568    7.5485    4.8192 H   0  0  0  0  0
   11.7496    5.9314    4.7155 H   0  0  0  0  0
   10.6992    7.4006    4.7074 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  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  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 16  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
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 15 16  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 27  1  0  0  0
 21 22  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1828896

>  <PubChem CID>
56663336

>  <Formula>
C20H26ClN5O

>  <Molecular Weight>
387.912000

>  <IUPAC Name>
5-N-(2-chloro-4-methoxyphenyl)-5-N-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCC)C1=CC(=NC2=CC=NN21)N(C)C3=C(C=C(C=C3)OC)Cl

>  <Isomeric SMILES>
CCCN(CCC)C1=CC(=NC2=CC=NN21)N(C)C3=C(C=C(C=C3)OC)Cl

>  <InChI Std. ID>
InChI=1S/C20H26ClN5O/c1-5-11-25(12-6-2)20-14-19(23-18-9-10-22-26(18)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-10,13-14H,5-6,11-12H2,1-4H3

>  <InChI Key>
AIKJHLATPFIHMV-UHFFFAOYSA-N

