58169057
  -OEChem-05062404332D

 44 47  0     0  0  0  0  0  0999 V2000
    9.2619   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    1.0111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    1.4096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    2.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    1.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3819   -0.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3819   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -1.1790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 18  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  2  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58169057

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAAAAAADAzBnwY/tp8MHACoA7Z3ZACCiC01MqAJ2CE+fNiMbvLEvZuUMShswBPI6aeayPCOQAABAAAAAACAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_NAME>
2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1-(3-methoxyphenyl)ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H18N2O2/c1-26-19-6-4-5-18(14-19)21(25)13-16-8-10-17(11-9-16)20-15-24-12-3-2-7-22(24)23-20/h2-12,14-15H,13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HDJFOBCFVLFYMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
342.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C22H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
342.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C3=CN4C=CC=CC4=N3

> <PUBCHEM_CACTVS_TPSA>
43.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
16  21  8
16  22  8
17  19  8
18  20  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8
3  10  8
3  17  8
3  9  8
4  6  8
4  9  8
5  11  8
5  12  8
6  10  8
7  13  8
7  14  8
9  18  8

$$$$