
 CHEMBL47382

 53 57  0  0  0  0  0  0  0  0999 V2000
    7.0367    0.4369    4.8352 C   0  0  0  0  0
    7.3717    0.7106    3.3773 C   0  0  0  0  0
    6.1170    1.0568    2.5732 C   0  0  0  0  0
    6.4405    1.3203    1.1375 C   0  0  0  0  0
    7.0667    2.4058    0.7154 N   0  0  0  0  0
    7.1549    2.2837   -0.6475 C   0  0  0  0  0
    7.7328    3.1302   -1.6089 C   0  0  0  0  0
    7.6465    2.6935   -2.9406 C   0  0  0  0  0
    7.0002    1.4954   -3.2366 C   0  0  0  0  0
    6.4335    0.6553   -2.3383 N   0  0  0  0  0
    6.5553    1.1063   -1.0730 C   0  0  0  0  0
    6.1332    0.4868    0.0774 N   0  0  0  0  0
    5.4888   -0.8167    0.1095 C   0  0  0  0  0
    6.5078   -1.9188    0.2769 C   0  0  0  0  0
    6.8688   -2.3816    1.5442 C   0  0  0  0  0
    7.9344   -3.2751    1.7039 C   0  0  0  0  0
    8.6320   -3.7903    0.5997 C   0  0  0  0  0
    8.2030   -3.3760   -0.6750 C   0  0  0  0  0
    7.1727   -2.4426   -0.8366 C   0  0  0  0  0
    9.8322   -4.6562    0.7544 C   0  0  0  0  0
    9.9527   -5.7359    1.6557 C   0  0  0  0  0
   11.1807   -6.4042    1.7179 C   0  0  0  0  0
   12.2684   -6.1099    0.9712 N   0  0  0  0  0
   12.1389   -5.0826    0.1166 C   0  0  0  0  0
   10.9732   -4.3437   -0.0178 C   0  0  0  0  0
    8.9051   -6.2094    2.5371 C   0  0  0  0  0
    7.6229   -6.4209    2.1947 N   0  0  0  0  0
    7.1304   -6.8470    3.3668 N   0  0  0  0  0
    8.0029   -6.9299    4.3769 N   0  0  0  0  0
    9.1519   -6.5323    3.8552 N   0  0  0  0  0
    8.4479    4.3948   -1.2496 C   0  0  0  0  0
    7.9336    0.1243    5.3785 H   0  0  0  0  0
    6.2900   -0.3580    4.9273 H   0  0  0  0  0
    6.6428    1.3370    5.3196 H   0  0  0  0  0
    7.8686   -0.1666    2.9532 H   0  0  0  0  0
    8.0962    1.5316    3.3222 H   0  0  0  0  0
    5.6607    1.9636    2.9909 H   0  0  0  0  0
    5.3691    0.2659    2.6799 H   0  0  0  0  0
    8.0767    3.2825   -3.7447 H   0  0  0  0  0
    6.9252    1.1640   -4.2701 H   0  0  0  0  0
    4.9254   -0.9484   -0.8198 H   0  0  0  0  0
    4.7508   -0.8272    0.9169 H   0  0  0  0  0
    6.3608   -2.0177    2.4334 H   0  0  0  0  0
    8.2291   -3.5393    2.7167 H   0  0  0  0  0
    8.6952   -3.7521   -1.5705 H   0  0  0  0  0
    6.9185   -2.1035   -1.8401 H   0  0  0  0  0
   11.3293   -7.2386    2.4030 H   0  0  0  0  0
   13.0206   -4.8478   -0.4717 H   0  0  0  0  0
   10.9699   -3.5063   -0.7103 H   0  0  0  0  0
    6.1515   -7.0930    3.4865 H   0  0  0  0  0
    8.5586    5.0516   -2.1181 H   0  0  0  0  0
    9.4441    4.1608   -0.8614 H   0  0  0  0  0
    7.8909    4.9453   -0.4848 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  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 26  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 29 30  2  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>
CHEMBL47382

>  <PubChem CID>
19889336

>  <Formula>
C23H22N8

>  <Molecular Weight>
410.485000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=C(C=NC=C4)C5=NNN=N5)C

>  <Isomeric SMILES>
CCCC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=C(C=NC=C4)C5=NNN=N5)C

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

>  <InChI Key>
CDOWRMOHWAEIPQ-UHFFFAOYSA-N

