
 CHEMBL86346

 53 57  0  0  0  0  0  0  0  0999 V2000
    2.0880   -0.2689   -2.4711 C   0  0  0  0  0
    2.2396    1.2329   -2.3445 C   0  0  0  0  0
    2.9887    1.6298   -1.1137 C   0  0  0  0  0
    4.3048    1.5554   -0.9872 N   0  0  0  0  0
    4.5997    2.1424    0.2181 C   0  0  0  0  0
    3.4438    2.5907    0.8364 C   0  0  0  0  0
    2.4207    2.1607    0.0291 N   0  0  0  0  0
    1.0143    2.2638    0.3789 C   0  0  0  0  0
    0.5441    1.0388    1.1302 C   0  0  0  0  0
    0.9343    0.8244    2.4600 C   0  0  0  0  0
    0.5635   -0.3410    3.1404 C   0  0  0  0  0
   -0.2329   -1.3174    2.5263 C   0  0  0  0  0
   -0.6294   -1.0875    1.1967 C   0  0  0  0  0
   -0.2542    0.0732    0.5089 C   0  0  0  0  0
   -0.5931   -2.5826    3.2035 C   0  0  0  0  0
   -1.1465   -2.7002    4.4874 C   0  0  0  0  0
   -1.3463   -3.9979    4.9939 C   0  0  0  0  0
   -1.0203   -5.1153    4.2333 C   0  0  0  0  0
   -0.5013   -4.9078    2.9733 C   0  0  0  0  0
   -0.2877   -3.6832    2.4496 N   0  0  0  0  0
   -1.5531   -1.5682    5.3047 C   0  0  0  0  0
   -1.5407   -1.5711    6.6526 N   0  0  0  0  0
   -2.0220   -0.3442    6.8976 N   0  0  0  0  0
   -2.3396    0.3871    5.8275 N   0  0  0  0  0
   -2.0545   -0.3939    4.7945 N   0  0  0  0  0
    3.3360    3.2689    1.9956 N   0  0  0  0  0
    4.5315    3.4965    2.5889 C   0  0  0  0  0
    5.7627    3.0643    2.0798 C   0  0  0  0  0
    5.8265    2.3546    0.8681 C   0  0  0  0  0
    7.1262    1.8480    0.3276 C   0  0  0  0  0
    4.4931    4.3204    3.8441 C   0  0  0  0  0
    1.5386   -0.5145   -3.3859 H   0  0  0  0  0
    1.5412   -0.6910   -1.6244 H   0  0  0  0  0
    3.0629   -0.7637   -2.5177 H   0  0  0  0  0
    1.2581    1.7136   -2.3901 H   0  0  0  0  0
    2.7968    1.6068   -3.2146 H   0  0  0  0  0
    0.4337    2.4196   -0.5355 H   0  0  0  0  0
    0.8701    3.1624    0.9900 H   0  0  0  0  0
    1.5535    1.5556    2.9761 H   0  0  0  0  0
    0.9253   -0.4798    4.1571 H   0  0  0  0  0
   -1.2255   -1.8379    0.6785 H   0  0  0  0  0
   -0.5760    0.1964   -0.5222 H   0  0  0  0  0
   -1.7703   -4.1408    5.9866 H   0  0  0  0  0
   -1.1746   -6.1185    4.6140 H   0  0  0  0  0
   -0.2308   -5.7400    2.3310 H   0  0  0  0  0
   -2.1450    0.0118    7.8427 H   0  0  0  0  0
    6.6768    3.2825    2.6250 H   0  0  0  0  0
    7.9718    2.1747    0.9409 H   0  0  0  0  0
    7.2816    2.2157   -0.6901 H   0  0  0  0  0
    7.1214    0.7526    0.3152 H   0  0  0  0  0
    5.3634    4.1280    4.4787 H   0  0  0  0  0
    3.5948    4.0842    4.4259 H   0  0  0  0  0
    4.4733    5.3843    3.5847 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 29  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 31  1  0  0  0
 28 29  2  0  0  0
 28 47  1  0  0  0
 29 30  1  0  0  0
 30 48  1  0  0  0
 30 49  1  0  0  0
 30 50  1  0  0  0
 31 51  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL86346

>  <PubChem CID>
19889373

>  <Formula>
C23H22N8

>  <Molecular Weight>
410.485000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-[[4-[3-(2H-tetrazol-5-yl)pyridin-2-yl]phenyl]methyl]imidazo[4,5-b]pyridine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=C(C=CC=N4)C5=NNN=N5)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=C(C=CC=N4)C5=NNN=N5)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C23H22N8/c1-4-19-26-20-14(2)12-15(3)25-23(20)31(19)13-16-7-9-17(10-8-16)21-18(6-5-11-24-21)22-27-29-30-28-22/h5-12H,4,13H2,1-3H3,(H,27,28,29,30)

>  <InChI Key>
FNZWHLOBAMJQLV-UHFFFAOYSA-N

