
 CHEMBL3771000

 48 51  0  0  0  0  0  0  0  0999 V2000
    3.3627   -1.0152   -2.0699 C   0  0  0  0  0
    2.3847   -0.2596   -1.1837 C   0  0  0  0  0
    2.8132    1.1448   -0.9242 C   0  0  0  0  0
    2.1915    2.3392   -1.2555 C   0  0  0  0  0
    3.0145    3.3286   -0.7456 N   0  0  0  0  0
    2.8703    4.7177   -0.7737 C   0  0  0  0  0
    3.7944    5.5252   -0.1977 C   0  0  0  0  0
    4.9410    4.8445    0.4307 C   0  0  0  0  0
    5.0746    3.5045    0.4540 C   0  0  0  0  0
    4.0845    2.6854   -0.1436 C   0  0  0  0  0
    3.9826    1.3797   -0.2388 N   0  0  0  0  0
    3.7102    6.9289   -0.1712 N   0  0  0  0  0
    3.0463    7.5349   -1.2352 C   0  0  0  0  0
    2.9077    8.8634   -1.3180 C   0  0  0  0  0
    3.4526    9.7255   -0.3046 C   0  0  0  0  0
    4.1103    9.1911    0.7331 C   0  0  0  0  0
    4.2667    7.7128    0.8592 C   0  0  0  0  0
    4.8361    7.3034    1.8700 O   0  0  0  0  0
    3.2260   11.0540   -0.5600 O   0  0  0  0  0
    3.7722   12.0134    0.3486 C   0  0  0  0  0
    3.4922   13.4134   -0.1485 C   0  0  0  0  0
    3.5524   13.7247   -1.5154 C   0  0  0  0  0
    3.3351   15.0305   -1.9587 C   0  0  0  0  0
    3.0686   16.0436   -1.0405 C   0  0  0  0  0
    3.0215   15.7524    0.3212 C   0  0  0  0  0
    3.2366   14.4461    0.7660 C   0  0  0  0  0
    0.9273    2.6221   -1.9777 C   0  0  0  0  0
    3.0140   -2.0403   -2.2308 H   0  0  0  0  0
    4.3569   -1.0647   -1.6128 H   0  0  0  0  0
    3.4656   -0.5314   -3.0470 H   0  0  0  0  0
    2.2891   -0.7808   -0.2239 H   0  0  0  0  0
    1.3942   -0.2792   -1.6504 H   0  0  0  0  0
    1.9638    5.0775   -1.2378 H   0  0  0  0  0
    5.7365    5.4397    0.8671 H   0  0  0  0  0
    5.9326    3.0278    0.9139 H   0  0  0  0  0
    2.6656    6.9226   -2.0453 H   0  0  0  0  0
    2.4021    9.3186   -2.1641 H   0  0  0  0  0
    4.5504    9.7652    1.5363 H   0  0  0  0  0
    4.8595   11.8913    0.4258 H   0  0  0  0  0
    3.3105   11.8733    1.3336 H   0  0  0  0  0
    3.7669   12.9469   -2.2456 H   0  0  0  0  0
    3.3768   15.2565   -3.0210 H   0  0  0  0  0
    2.9014   17.0603   -1.3860 H   0  0  0  0  0
    2.8199   16.5442    1.0381 H   0  0  0  0  0
    3.2028   14.2417    1.8339 H   0  0  0  0  0
    0.4344    1.7027   -2.3058 H   0  0  0  0  0
    1.1192    3.2299   -2.8679 H   0  0  0  0  0
    0.2271    3.1616   -1.3317 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  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 44  1  0  0  0
 26 45  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3771000

>  <PubChem CID>
89690573

>  <Formula>
C22H21N3O2

>  <Molecular Weight>
359.429000

>  <IUPAC Name>
1-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-phenylmethoxypyridin-2-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(N2C=C(C=CC2=N1)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C

>  <Isomeric SMILES>
CCC1=C(N2C=C(C=CC2=N1)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C22H21N3O2/c1-3-20-16(2)25-14-18(9-10-21(25)23-20)24-12-11-19(13-22(24)26)27-15-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3

>  <InChI Key>
ALVCBZKUFZQTBZ-UHFFFAOYSA-N

