
 CHEMBL1922625

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.9380   -0.0579    0.2742 C   0  0  0  0  0
    2.4446   -0.0127    0.2208 C   0  0  0  0  0
    3.0945   -1.1373    0.3078 N   0  0  0  0  0
    4.4592   -1.0663    0.2565 C   0  0  0  0  0
    5.4508   -2.0219    0.2112 C   0  0  0  0  0
    6.6721   -1.3225    0.2633 C   0  0  0  0  0
    6.4756   -0.0059    0.2782 N   0  0  0  0  0
    5.1328    0.1590    0.2050 N   0  0  0  0  0
    4.4283    1.3668    0.0837 C   0  0  0  0  0
    3.0820    1.3296    0.0697 C   0  0  0  0  0
    5.2454    2.6208   -0.0598 C   0  0  0  0  0
    4.5087    3.7335   -0.6660 N   0  0  0  0  0
    7.8901   -1.9078    0.3202 N   0  0  0  0  0
    9.0993   -1.1180    0.2438 C   0  0  0  0  0
    5.2588   -3.7174    0.1889 S   0  0  0  0  0
    4.0280   -3.9812   -0.5324 O   0  0  0  0  0
    6.5261   -4.2494   -0.2859 O   0  0  0  0  0
    5.0722   -4.2127    1.8772 C   0  0  0  0  0
    3.8916   -4.8284    2.2991 C   0  0  0  0  0
    3.7785   -5.2586    3.6220 C   0  0  0  0  0
    4.8380   -5.0738    4.5126 C   0  0  0  0  0
    6.0166   -4.4610    4.0861 C   0  0  0  0  0
    6.1400   -4.0338    2.7648 C   0  0  0  0  0
    0.5047    0.9454    0.2599 H   0  0  0  0  0
    0.6239   -0.5633    1.1920 H   0  0  0  0  0
    0.5641   -0.6177   -0.5879 H   0  0  0  0  0
    2.4592    2.2095   -0.0230 H   0  0  0  0  0
    6.1320    2.4409   -0.6786 H   0  0  0  0  0
    5.5945    2.9301    0.9321 H   0  0  0  0  0
    4.3796    3.5282   -1.6574 H   0  0  0  0  0
    5.1052    4.5608   -0.6443 H   0  0  0  0  0
    7.9822   -2.8624   -0.0410 H   0  0  0  0  0
    9.1850   -0.6179   -0.7262 H   0  0  0  0  0
    9.9687   -1.7709    0.3680 H   0  0  0  0  0
    9.1341   -0.3691    1.0423 H   0  0  0  0  0
    3.0648   -4.9824    1.6089 H   0  0  0  0  0
    2.8657   -5.7445    3.9581 H   0  0  0  0  0
    4.7469   -5.4141    5.5416 H   0  0  0  0  0
    6.8418   -4.3243    4.7808 H   0  0  0  0  0
    7.0705   -3.5753    2.4383 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1922625

>  <PubChem CID>
56849716

>  <Formula>
C15H17N5O2S

>  <Molecular Weight>
331.394000

>  <IUPAC Name>
7-(aminomethyl)-3-(benzenesulfonyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C(=NN2C(=C1)CN)NC)S(=O)(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=NC2=C(C(=NN2C(=C1)CN)NC)S(=O)(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H17N5O2S/c1-10-8-11(9-16)20-15(18-10)13(14(17-2)19-20)23(21,22)12-6-4-3-5-7-12/h3-8H,9,16H2,1-2H3,(H,17,19)

>  <InChI Key>
AMAUWLQCGFDUCN-UHFFFAOYSA-N

