
 CHEMBL3810343

 45 48  0  0  0  0  0  0  0  0999 V2000
    3.7080   -0.9536    0.0521 C   0  0  0  0  0
    3.0658   -0.0586   -0.9982 C   0  0  0  0  0
    3.4357    1.3726   -0.7810 C   0  0  0  0  0
    4.6649    1.8466   -0.8979 N   0  0  0  0  0
    4.5865    3.1791   -0.5811 C   0  0  0  0  0
    3.2825    3.5287   -0.2662 C   0  0  0  0  0
    2.5562    2.3750   -0.4218 N   0  0  0  0  0
    1.1327    2.2656   -0.1529 C   0  0  0  0  0
    0.2909    2.4230   -1.3979 C   0  0  0  0  0
    0.2662    3.6416   -2.0974 C   0  0  0  0  0
   -0.5433    3.8230   -3.2317 C   0  0  0  0  0
   -0.5631    5.0423   -3.9280 C   0  0  0  0  0
   -1.3812    5.2129   -5.0470 C   0  0  0  0  0
   -2.1891    4.1667   -5.4812 C   0  0  0  0  0
   -2.1775    2.9470   -4.8014 C   0  0  0  0  0
   -1.3585    2.7598   -3.6753 C   0  0  0  0  0
   -1.3345    1.5430   -2.9762 C   0  0  0  0  0
   -0.5215    1.3765   -1.8506 C   0  0  0  0  0
    2.8191    4.7369    0.1080 N   0  0  0  0  0
    3.7880    5.6819    0.1631 C   0  0  0  0  0
    5.1366    5.4515   -0.1343 C   0  0  0  0  0
    5.5756    4.1732   -0.5232 C   0  0  0  0  0
    7.0216    3.9192   -0.8118 C   0  0  0  0  0
    3.3510    7.0655    0.5534 C   0  0  0  0  0
    3.4267   -1.9982   -0.1139 H   0  0  0  0  0
    3.3918   -0.6702    1.0617 H   0  0  0  0  0
    4.8013   -0.8889    0.0134 H   0  0  0  0  0
    1.9836   -0.2096   -0.9845 H   0  0  0  0  0
    3.4118   -0.3634   -1.9925 H   0  0  0  0  0
    0.8534    3.0313    0.5802 H   0  0  0  0  0
    0.9579    1.3000    0.3340 H   0  0  0  0  0
    0.8813    4.4711   -1.7488 H   0  0  0  0  0
    0.0623    5.8707   -3.6015 H   0  0  0  0  0
   -1.3865    6.1622   -5.5745 H   0  0  0  0  0
   -2.8283    4.2985   -6.3498 H   0  0  0  0  0
   -2.8162    2.1417   -5.1570 H   0  0  0  0  0
   -1.9586    0.7133   -3.3022 H   0  0  0  0  0
   -0.5408    0.4229   -1.3286 H   0  0  0  0  0
    5.8515    6.2675   -0.0638 H   0  0  0  0  0
    7.4231    4.6959   -1.4704 H   0  0  0  0  0
    7.1635    2.9545   -1.3088 H   0  0  0  0  0
    7.5930    3.9132    0.1217 H   0  0  0  0  0
    3.9486    7.4310    1.3941 H   0  0  0  0  0
    2.2995    7.0697    0.8580 H   0  0  0  0  0
    3.4649    7.7475   -0.2948 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  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 22  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3810343

>  <PubChem CID>
127043395

>  <Formula>
C21H21N3

>  <Molecular Weight>
315.420000

>  <IUPAC Name>
2-ethyl-5,7-dimethyl-3-(naphthalen-2-ylmethyl)imidazo[4,5-b]pyridine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=CC=CC=C4C=C3)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=CC=CC=C4C=C3)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C21H21N3/c1-4-19-23-20-14(2)11-15(3)22-21(20)24(19)13-16-9-10-17-7-5-6-8-18(17)12-16/h5-12H,4,13H2,1-3H3

>  <InChI Key>
NYHKKKJCGBYJBD-UHFFFAOYSA-N

