
 CHEMBL2036090

 53 55  0  0  0  0  0  0  0  0999 V2000
    1.0119   -0.6326   -1.2229 C   0  0  0  0  0
    2.4256   -0.3542   -0.7871 C   0  0  0  0  0
    2.9179    0.8647   -0.4710 C   0  0  0  0  0
    4.3510    0.8825   -0.0532 C   0  0  0  0  0
    5.1566   -0.1308    0.0227 N   0  0  0  0  0
    4.6307   -1.3406   -0.3411 C   0  0  0  0  0
    5.1945   -2.6010   -0.4579 C   0  0  0  0  0
    4.1219   -3.4225   -0.8595 C   0  0  0  0  0
    2.9745   -2.7632   -1.0025 N   0  0  0  0  0
    3.2833   -1.4703   -0.7174 N   0  0  0  0  0
    6.5920   -2.9466   -0.2328 C   0  0  0  0  0
    6.9382   -4.2300    0.2078 C   0  0  0  0  0
    8.2809   -4.5959    0.3662 C   0  0  0  0  0
    9.3137   -3.6906    0.0839 C   0  0  0  0  0
    8.9651   -2.3988   -0.3274 C   0  0  0  0  0
    7.6230   -2.0364   -0.4923 C   0  0  0  0  0
   10.7585   -4.1275    0.2556 C   0  0  0  0  0
   11.6954   -3.5884   -0.8310 C   0  0  0  0  0
   11.2731   -3.7458    1.6445 C   0  0  0  0  0
    2.1528    2.1348   -0.6081 C   0  0  0  0  0
    1.3716    2.3180   -1.5336 O   0  0  0  0  0
    2.4305    3.0703    0.3589 N   0  0  0  0  0
    1.7859    4.3857    0.4213 C   0  0  0  0  0
    2.0446    5.2177   -0.8337 C   0  0  0  0  0
    0.2854    4.2903    0.7422 C   0  0  0  0  0
    0.1334    3.7040    2.0426 O   0  0  0  0  0
   -1.2386    3.5857    2.3985 C   0  0  0  0  0
    0.3268    0.1916   -1.0142 H   0  0  0  0  0
    0.6046   -1.4999   -0.6914 H   0  0  0  0  0
    0.9821   -0.8416   -2.2973 H   0  0  0  0  0
    4.7602    1.8729    0.2051 H   0  0  0  0  0
    4.1358   -4.4841   -1.0696 H   0  0  0  0  0
    6.1715   -4.9655    0.4389 H   0  0  0  0  0
    8.5131   -5.6018    0.7102 H   0  0  0  0  0
    9.7276   -1.6525   -0.5341 H   0  0  0  0  0
    7.4005   -1.0309   -0.8414 H   0  0  0  0  0
   10.7912   -5.2223    0.1731 H   0  0  0  0  0
   11.8349   -2.5048   -0.7548 H   0  0  0  0  0
   11.3076   -3.8106   -1.8317 H   0  0  0  0  0
   12.6850   -4.0502   -0.7454 H   0  0  0  0  0
   11.2674   -2.6602    1.7921 H   0  0  0  0  0
   12.2990   -4.1012    1.7885 H   0  0  0  0  0
   10.6526   -4.1916    2.4303 H   0  0  0  0  0
    2.8581    2.7601    1.2225 H   0  0  0  0  0
    2.2818    4.8881    1.2621 H   0  0  0  0  0
    1.5334    4.8120   -1.7111 H   0  0  0  0  0
    3.1160    5.2560   -1.0596 H   0  0  0  0  0
    1.6928    6.2450   -0.6928 H   0  0  0  0  0
   -0.2449    3.6815    0.0023 H   0  0  0  0  0
   -0.1555    5.2939    0.7554 H   0  0  0  0  0
   -1.2984    3.1403    3.3947 H   0  0  0  0  0
   -1.7625    2.9352    1.6915 H   0  0  0  0  0
   -1.7128    4.5716    2.4273 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  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
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2036090

>  <PubChem CID>
57387599

>  <Formula>
C21H26N4O2

>  <Molecular Weight>
366.465000

>  <IUPAC Name>
N-[(2R)-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)N[C@H](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)/t14-/m1/s1

>  <InChI Key>
CGGPQQYOXKBDOB-CQSZACIVSA-N

