
 CHEMBL3671296

 43 47  0  0  0  0  0  0  0  0999 V2000
    2.6152    0.1583    2.2212 C   0  0  0  0  0
    2.7230    0.1335    0.7207 C   0  0  0  0  0
    2.0287    0.9826   -0.1675 C   0  0  0  0  0
    2.2667    0.8769   -1.5508 C   0  0  0  0  0
    3.1822   -0.0485   -2.0572 C   0  0  0  0  0
    3.8582   -0.9029   -1.1940 C   0  0  0  0  0
    3.6317   -0.8044    0.1821 C   0  0  0  0  0
    4.7993   -1.7286   -1.7641 O   0  0  0  0  0
    5.0092   -2.9773   -1.2013 C   0  0  0  0  0
    3.9749   -3.6524   -0.6284 N   0  0  0  0  0
    4.1969   -4.8759   -0.0989 C   0  0  0  0  0
    5.4164   -5.5373   -0.0984 C   0  0  0  0  0
    6.4503   -4.8419   -0.7187 C   0  0  0  0  0
    6.2717   -3.5814   -1.2757 C   0  0  0  0  0
    7.5427   -3.2440   -1.7944 C   0  0  0  0  0
    8.4538   -4.1983   -1.5869 N   0  0  0  0  0
    7.7670   -5.1532   -0.9346 N   0  0  0  0  0
    1.1286    2.0025    0.2708 N   0  0  0  0  0
    0.0729    1.9019    1.1769 C   0  0  0  0  0
   -0.5081    3.0695    1.3781 N   0  0  0  0  0
    0.0975    3.9451    0.5213 C   0  0  0  0  0
    1.1105    3.3176   -0.1990 C   0  0  0  0  0
    1.8869    4.0340   -1.1200 C   0  0  0  0  0
    1.5343    5.3657   -1.2929 C   0  0  0  0  0
    0.5457    5.9989   -0.6257 N   0  0  0  0  0
   -0.1688    5.2996    0.2936 C   0  0  0  0  0
   -0.4582    0.6385    1.7527 C   0  0  0  0  0
    2.3531    1.1477    2.6010 H   0  0  0  0  0
    3.5749   -0.1026    2.6823 H   0  0  0  0  0
    1.8821   -0.5834    2.5540 H   0  0  0  0  0
    1.7254    1.4954   -2.2642 H   0  0  0  0  0
    3.3617   -0.1033   -3.1280 H   0  0  0  0  0
    4.1858   -1.4514    0.8589 H   0  0  0  0  0
    3.3213   -5.3385    0.3513 H   0  0  0  0  0
    5.5408   -6.5177    0.3422 H   0  0  0  0  0
    7.8357   -2.3395   -2.3118 H   0  0  0  0  0
    8.2589   -5.9984   -0.6648 H   0  0  0  0  0
    2.7119    3.5995   -1.6689 H   0  0  0  0  0
    2.0704    5.9876   -2.0067 H   0  0  0  0  0
   -0.9460    5.8347    0.8244 H   0  0  0  0  0
   -0.1894   -0.2410    1.1628 H   0  0  0  0  0
   -1.5522    0.6851    1.7864 H   0  0  0  0  0
   -0.1131    0.5131    2.7824 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  7  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 33  1  0  0  0
  8  9  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 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 17 37  1  0  0  0
 18 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 27  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 25  1  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 26 40  1  0  0  0
 27 41  1  0  0  0
 27 42  1  0  0  0
 27 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3671296

>  <PubChem CID>
91899757

>  <Formula>
C20H16N6O

>  <Molecular Weight>
356.389000

>  <IUPAC Name>
2-methyl-1-[2-methyl-4-(1H-pyrazolo[4,3-c]pyridin-4-yloxy)phenyl]imidazo[4,5-c]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=NN3)N4C(=NC5=C4C=CN=C5)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=NN3)N4C(=NC5=C4C=CN=C5)C

>  <InChI Std. ID>
InChI=1S/C20H16N6O/c1-12-9-14(27-20-15-10-23-25-16(15)5-8-22-20)3-4-18(12)26-13(2)24-17-11-21-7-6-19(17)26/h3-11H,1-2H3,(H,23,25)

>  <InChI Key>
AKZQNAADLLXBOU-UHFFFAOYSA-N

