
 CHEMBL332721

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.6979    0.6121   -1.2516 C   0  0  0  0  0
    2.1090    1.8977   -0.5568 C   0  0  0  0  0
    3.0466    1.6665    0.5406 N   0  0  0  0  0
    2.6013    0.9784    1.7595 C   0  0  0  0  0
    2.9539   -0.4851    1.7896 C   0  0  0  0  0
    4.0995   -0.9817    2.6464 C   0  0  0  0  0
    2.6861   -1.3159    3.0208 C   0  0  0  0  0
    4.3991    1.8652    0.3147 C   0  0  0  0  0
    5.2778    0.7919    0.1183 C   0  0  0  0  0
    6.6534    0.9793    0.0107 C   0  0  0  0  0
    7.2431    2.1857    0.0429 N   0  0  0  0  0
    6.4063    3.2451    0.1235 C   0  0  0  0  0
    5.0239    3.1228    0.2713 C   0  0  0  0  0
    4.5882    4.4187    0.3866 N   0  0  0  0  0
    5.5594    5.3539    0.2837 N   0  0  0  0  0
    6.6888    4.6432    0.1187 C   0  0  0  0  0
    7.9943    5.3079    0.0572 C   0  0  0  0  0
    9.0201    4.9525   -0.8360 C   0  0  0  0  0
   10.2731    5.5790   -0.7645 C   0  0  0  0  0
   10.4972    6.5880    0.1674 C   0  0  0  0  0
    9.4805    6.9912    1.0252 C   0  0  0  0  0
    8.2395    6.3522    0.9714 C   0  0  0  0  0
   12.0353    7.3545    0.2460 Cl  0  0  0  0  0
    8.8126    3.8182   -2.1287 Cl  0  0  0  0  0
    3.2349    4.8717    0.6037 C   0  0  0  0  0
    7.5658   -0.2011   -0.1336 C   0  0  0  0  0
    1.0478    0.8370   -2.1042 H   0  0  0  0  0
    1.1383   -0.0445   -0.5776 H   0  0  0  0  0
    2.5689    0.0617   -1.6215 H   0  0  0  0  0
    1.2147    2.3969   -0.1629 H   0  0  0  0  0
    2.5365    2.5796   -1.3004 H   0  0  0  0  0
    1.5124    1.0689    1.8474 H   0  0  0  0  0
    3.0168    1.4947    2.6346 H   0  0  0  0  0
    2.7706   -0.9757    0.8431 H   0  0  0  0  0
    4.6346   -0.2657    3.2610 H   0  0  0  0  0
    4.7246   -1.7711    2.2476 H   0  0  0  0  0
    2.3606   -2.3426    2.8788 H   0  0  0  0  0
    2.2665   -0.8358    3.8981 H   0  0  0  0  0
    4.8849   -0.2159    0.0541 H   0  0  0  0  0
   11.0673    5.2863   -1.4457 H   0  0  0  0  0
    9.6432    7.7934    1.7409 H   0  0  0  0  0
    7.4538    6.6684    1.6568 H   0  0  0  0  0
    2.7010    4.8248   -0.3489 H   0  0  0  0  0
    3.2533    5.9053    0.9610 H   0  0  0  0  0
    2.7584    4.2460    1.3586 H   0  0  0  0  0
    7.0131   -1.1451   -0.1586 H   0  0  0  0  0
    8.2605   -0.2367    0.7126 H   0  0  0  0  0
    8.1411   -0.1171   -1.0619 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL332721

>  <PubChem CID>
44341737

>  <Formula>
C20H22Cl2N4

>  <Molecular Weight>
389.324000

>  <IUPAC Name>
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-N-ethyl-1,5-dimethylpyrazolo[4,3-b]pyridin-7-amine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC1CC1)C2=CC(=NC3=C2N(N=C3C4=C(C=C(C=C4)Cl)Cl)C)C

>  <Isomeric SMILES>
CCN(CC1CC1)C2=CC(=NC3=C2N(N=C3C4=C(C=C(C=C4)Cl)Cl)C)C

>  <InChI Std. ID>
InChI=1S/C20H22Cl2N4/c1-4-26(11-13-5-6-13)17-9-12(2)23-19-18(24-25(3)20(17)19)15-8-7-14(21)10-16(15)22/h7-10,13H,4-6,11H2,1-3H3

>  <InChI Key>
AXSAXWWLBPZENZ-UHFFFAOYSA-N

