
 CHEMBL417225

 40 44  0  0  0  0  0  0  0  0999 V2000
    2.1783   -0.3629    1.4323 C   0  0  0  0  0
    2.3836    0.1551    0.0194 C   0  0  0  0  0
    2.9260    1.5054    0.0029 N   0  0  0  0  0
    4.2742    1.8102   -0.0122 C   0  0  0  0  0
    4.3768    3.2005   -0.0277 C   0  0  0  0  0
    5.6617    3.7926   -0.0422 C   0  0  0  0  0
    6.8174    2.9931   -0.0394 C   0  0  0  0  0
    6.6687    1.6014   -0.0240 C   0  0  0  0  0
    5.4099    0.9874   -0.0088 C   0  0  0  0  0
    8.1708    3.5666   -0.0489 C   0  0  0  0  0
    9.3033    2.8818   -0.0629 N   0  0  0  0  0
   10.3179    3.8069   -0.0626 C   0  0  0  0  0
    9.8042    5.0929   -0.0481 C   0  0  0  0  0
    8.4468    4.9176   -0.0400 N   0  0  0  0  0
   10.6130    6.2156   -0.0437 C   0  0  0  0  0
   11.9553    6.0409   -0.0542 N   0  0  0  0  0
   12.4583    4.7821   -0.0685 C   0  0  0  0  0
   11.6994    3.6218   -0.0735 C   0  0  0  0  0
    3.0500    3.7341   -0.0210 C   0  0  0  0  0
    2.5293    5.0463   -0.0276 C   0  0  0  0  0
    1.1453    5.2434   -0.0114 C   0  0  0  0  0
    0.2791    4.1560    0.0126 C   0  0  0  0  0
    0.7691    2.8467    0.0202 C   0  0  0  0  0
    2.1618    2.6575    0.0005 C   0  0  0  0  0
    1.7638   -1.3754    1.4091 H   0  0  0  0  0
    1.4870    0.2757    1.9923 H   0  0  0  0  0
    3.1239   -0.3940    1.9839 H   0  0  0  0  0
    1.4377    0.1599   -0.5322 H   0  0  0  0  0
    3.0668   -0.4956   -0.5361 H   0  0  0  0  0
    5.7169    4.8744   -0.0541 H   0  0  0  0  0
    7.5558    0.9676   -0.0217 H   0  0  0  0  0
    5.3346   -0.0951    0.0073 H   0  0  0  0  0
    7.7619    5.6563   -0.0265 H   0  0  0  0  0
   10.2436    7.2328   -0.0322 H   0  0  0  0  0
   13.5441    4.7272   -0.0761 H   0  0  0  0  0
   12.1441    2.6369   -0.0847 H   0  0  0  0  0
    3.1972    5.9019   -0.0437 H   0  0  0  0  0
    0.7455    6.2542   -0.0162 H   0  0  0  0  0
   -0.7952    4.3247    0.0266 H   0  0  0  0  0
    0.0804    2.0083    0.0424 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 24  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL417225

>  <PubChem CID>
10245014

>  <Formula>
C20H16N4

>  <Molecular Weight>
312.376000

>  <IUPAC Name>
9-ethyl-3-(3H-imidazo[4,5-c]pyridin-2-yl)carbazole

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3)C=NC=C4)C5=CC=CC=C51

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3)C=NC=C4)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C20H16N4/c1-2-24-18-6-4-3-5-14(18)15-11-13(7-8-19(15)24)20-22-16-9-10-21-12-17(16)23-20/h3-12H,2H2,1H3,(H,22,23)

>  <InChI Key>
BSEFEFWNWWAMGX-UHFFFAOYSA-N

