
 CHEMBL3122222

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.9830   -0.1311   -0.1608 C   0  0  0  0  0
    2.4282   -0.3143   -0.5817 C   0  0  0  0  0
    3.1311    0.9440   -0.5786 N   0  0  0  0  0
    4.5012    1.0418   -0.4634 C   0  0  0  0  0
    5.2390    0.0836   -0.2598 O   0  0  0  0  0
    4.9881    2.4221   -0.6049 C   0  0  0  0  0
    4.1402    3.4380   -0.8975 N   0  0  0  0  0
    4.9409    4.5274   -0.9087 N   0  0  0  0  0
    6.2528    4.2573   -0.6470 C   0  0  0  0  0
    6.3256    2.8863   -0.4502 C   0  0  0  0  0
    7.5833    2.3375   -0.1549 C   0  0  0  0  0
    8.6623    3.2196   -0.0710 C   0  0  0  0  0
    8.4500    4.5782   -0.2791 C   0  0  0  0  0
    7.2630    5.1487   -0.5823 N   0  0  0  0  0
    9.5727    5.3741   -0.1440 O   0  0  0  0  0
    9.2925    6.7745   -0.2391 C   0  0  0  0  0
   10.4922    7.6147    0.1583 C   0  0  0  0  0
   11.6553    7.0468    0.6740 C   0  0  0  0  0
   12.7016    7.8785    1.0595 C   0  0  0  0  0
   12.5641    9.2543    0.9262 C   0  0  0  0  0
   11.3802    9.7580    0.4015 C   0  0  0  0  0
   10.3519    8.9612    0.0224 N   0  0  0  0  0
   11.1905   11.2388    0.2631 C   0  0  0  0  0
    4.3844    5.8337   -1.1606 C   0  0  0  0  0
    0.4592   -1.0914   -0.1542 H   0  0  0  0  0
    0.4580    0.5426   -0.8464 H   0  0  0  0  0
    0.9209    0.3029    0.8429 H   0  0  0  0  0
    2.4817   -0.7209   -1.5970 H   0  0  0  0  0
    2.9351   -1.0157    0.0894 H   0  0  0  0  0
    2.6689    1.8009   -0.8761 H   0  0  0  0  0
    7.7121    1.2722    0.0128 H   0  0  0  0  0
    9.6549    2.8507    0.1655 H   0  0  0  0  0
    8.4739    7.0529    0.4371 H   0  0  0  0  0
    9.0284    7.0222   -1.2748 H   0  0  0  0  0
   11.7545    5.9719    0.7854 H   0  0  0  0  0
   13.6148    7.4548    1.4672 H   0  0  0  0  0
   13.3668    9.9182    1.2294 H   0  0  0  0  0
   10.2593   11.4647   -0.2662 H   0  0  0  0  0
   12.0175   11.6779   -0.3037 H   0  0  0  0  0
   11.1451   11.7051    1.2522 H   0  0  0  0  0
    3.3048    5.7486   -1.3102 H   0  0  0  0  0
    4.8534    6.2421   -2.0587 H   0  0  0  0  0
    4.5887    6.4686   -0.2949 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 23 38  1  0  0  0
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 24 41  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3122222

>  <PubChem CID>
76321785

>  <Formula>
C17H19N5O2

>  <Molecular Weight>
325.372000

>  <IUPAC Name>
N-ethyl-1-methyl-6-[(6-methylpyridin-2-yl)methoxy]pyrazolo[3,4-b]pyridine-3-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCNC(=O)C1=NN(C2=C1C=CC(=N2)OCC3=CC=CC(=N3)C)C

>  <Isomeric SMILES>
CCNC(=O)C1=NN(C2=C1C=CC(=N2)OCC3=CC=CC(=N3)C)C

>  <InChI Std. ID>
InChI=1S/C17H19N5O2/c1-4-18-17(23)15-13-8-9-14(20-16(13)22(3)21-15)24-10-12-7-5-6-11(2)19-12/h5-9H,4,10H2,1-3H3,(H,18,23)

>  <InChI Key>
BRJGPYREHPMBAR-UHFFFAOYSA-N

