
 MLS003124119

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.6221    4.3221    1.3631 C   0  0  0  0  0
    1.8335    3.7904    0.6421 C   0  0  0  0  0
    1.7936    2.7207    0.0374 O   0  0  0  0  0
    3.1021    4.5787    0.6764 C   0  0  0  0  0
    3.2155    5.7721    1.3944 C   0  0  0  0  0
    4.4399    6.4380    1.4442 C   0  0  0  0  0
    5.5511    5.9208    0.7732 C   0  0  0  0  0
    5.4490    4.7571    0.0013 C   0  0  0  0  0
    4.2157    4.0858   -0.0240 C   0  0  0  0  0
    6.5947    4.2024   -0.7314 C   0  0  0  0  0
    6.9599    2.8733   -0.8958 C   0  0  0  0  0
    8.0922    2.7315   -1.6493 N   0  0  0  0  0
    8.4407    3.9605   -1.9694 C   0  0  0  0  0
    7.5566    4.9074   -1.4527 N   0  0  0  0  0
    7.7071    6.2761   -1.6841 C   0  0  0  0  0
    8.7654    6.7323   -2.3833 C   0  0  0  0  0
    9.7028    5.7531   -2.9356 C   0  0  0  0  0
    9.5458    4.4303   -2.7538 C   0  0  0  0  0
   10.3569    3.4378   -3.2616 N   0  0  0  0  0
   11.4494    3.5659   -4.0821 C   0  0  0  0  0
   11.9438    4.5858   -4.5404 O   0  0  0  0  0
    8.9347    8.1870   -2.5506 C   0  0  0  0  0
    8.4167    8.7953   -3.7034 C   0  0  0  0  0
    8.5761   10.1647   -3.9091 C   0  0  0  0  0
    9.2644   10.9314   -2.9726 C   0  0  0  0  0
    9.7828   10.3366   -1.8188 C   0  0  0  0  0
    9.6100    8.9674   -1.5897 C   0  0  0  0  0
   10.0808    8.3064   -0.4825 O   0  0  0  0  0
   10.4122    9.1027    0.6480 C   0  0  0  0  0
    0.3110    5.2744    0.9261 H   0  0  0  0  0
    0.8306    4.4308    2.4306 H   0  0  0  0  0
   -0.2028    3.6111    1.2528 H   0  0  0  0  0
    2.3755    6.1965    1.9362 H   0  0  0  0  0
    4.5358    7.3568    2.0187 H   0  0  0  0  0
    6.5015    6.4393    0.8794 H   0  0  0  0  0
    4.1119    3.1633   -0.5948 H   0  0  0  0  0
    6.4551    2.0041   -0.4914 H   0  0  0  0  0
    6.9626    6.9441   -1.2740 H   0  0  0  0  0
   10.5309    6.1594   -3.5102 H   0  0  0  0  0
   10.0742    2.4965   -3.0014 H   0  0  0  0  0
   11.8741    2.5741   -4.3171 H   0  0  0  0  0
    7.8915    8.2010   -4.4479 H   0  0  0  0  0
    8.1744   10.6295   -4.8059 H   0  0  0  0  0
    9.4066   11.9959   -3.1434 H   0  0  0  0  0
   10.3312   10.9660   -1.1257 H   0  0  0  0  0
   11.3275    9.6762    0.4714 H   0  0  0  0  0
   10.6002    8.4272    1.4882 H   0  0  0  0  0
    9.5816    9.7590    0.9297 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 26 27  2  0  0  0
 26 45  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 46  1  0  0  0
 29 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
MLS003124119

>  <PubChem CID>
46942735

>  <Formula>
C23H19N3O3

>  <Molecular Weight>
385.423000

>  <IUPAC Name>
N-[3-(3-acetylphenyl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC

>  <Isomeric SMILES>
CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C23H19N3O3/c1-15(28)16-6-5-7-17(10-16)21-12-24-23-20(25-14-27)11-18(13-26(21)23)19-8-3-4-9-22(19)29-2/h3-14H,1-2H3,(H,25,27)

>  <InChI Key>
AABXLGHALFKKLB-UHFFFAOYSA-N

