
 Jte 013

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.4000    2.8574    1.0153 C   0  0  0  0  0
    1.7674    2.2803    1.0038 C   0  0  0  0  0
    2.8210    3.1048    1.0993 N   0  0  0  0  0
    3.8804    2.2738    1.0839 N   0  0  0  0  0
    3.5480    0.9531    0.9677 C   0  0  0  0  0
    2.1595    0.9085    0.9229 C   0  0  0  0  0
    1.5367   -0.3584    0.8315 C   0  0  0  0  0
    2.4198   -1.4601    0.8605 C   0  0  0  0  0
    3.8088   -1.2910    0.8692 C   0  0  0  0  0
    4.4106   -0.0812    0.9265 N   0  0  0  0  0
    4.6192   -2.4558    0.9171 N   0  0  0  0  0
    5.9138   -2.1957    0.4093 N   0  0  0  0  0
    6.7499   -3.2880    0.2269 C   0  0  0  0  0
    6.3883   -4.4445    0.4100 O   0  0  0  0  0
    7.9746   -2.8907   -0.2794 N   0  0  0  0  0
    9.0780   -3.7275   -0.5463 C   0  0  0  0  0
   10.0745   -3.2400   -1.3893 C   0  0  0  0  0
   11.1579   -4.0601   -1.6571 C   0  0  0  0  0
   11.3339   -5.2891   -1.1464 N   0  0  0  0  0
   10.3603   -5.7198   -0.3242 C   0  0  0  0  0
    9.2269   -4.9963    0.0065 C   0  0  0  0  0
   10.6289   -7.2816    0.3335 Cl  0  0  0  0  0
   12.4057   -3.5401   -2.7136 Cl  0  0  0  0  0
    0.0334   -0.5615    0.7511 C   0  0  0  0  0
   -0.3887   -1.6811   -0.2076 C   0  0  0  0  0
   -0.5542   -0.7929    2.1431 C   0  0  0  0  0
    5.2108    2.8058    1.2367 C   0  0  0  0  0
   -0.1998    2.4118    1.8146 H   0  0  0  0  0
   -0.0988    2.6789    0.0579 H   0  0  0  0  0
    0.4218    3.9397    1.1827 H   0  0  0  0  0
    2.0214   -2.4708    0.8621 H   0  0  0  0  0
    4.1956   -3.2345    0.4093 H   0  0  0  0  0
    6.2879   -1.2994    0.7121 H   0  0  0  0  0
    7.9776   -1.9659   -0.6878 H   0  0  0  0  0
   10.0093   -2.2602   -1.8477 H   0  0  0  0  0
    8.5024   -5.4210    0.6915 H   0  0  0  0  0
   -0.4096    0.3551    0.3472 H   0  0  0  0  0
   -0.1197   -2.6729    0.1707 H   0  0  0  0  0
    0.0772   -1.5551   -1.1911 H   0  0  0  0  0
   -1.4752   -1.6724   -0.3489 H   0  0  0  0  0
   -0.1613   -1.7086    2.5985 H   0  0  0  0  0
   -1.6448   -0.8818    2.0927 H   0  0  0  0  0
   -0.3182    0.0396    2.8150 H   0  0  0  0  0
    5.2160    3.8582    0.9410 H   0  0  0  0  0
    5.8976    2.2445    0.5985 H   0  0  0  0  0
    5.4973    2.7080    2.2868 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  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 36  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24 37  1  0  0  0
 25 38  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
 26 41  1  0  0  0
 26 42  1  0  0  0
 26 43  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
Jte 013

>  <PubChem CID>
10223146

>  <Formula>
C17H19Cl2N7O

>  <Molecular Weight>
408.287000

>  <IUPAC Name>
1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C

>  <Isomeric SMILES>
CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C

>  <InChI Std. ID>
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)

>  <InChI Key>
RNSLRQNDXRSASX-UHFFFAOYSA-N

