49795390
  -OEChem-05082412292D

 51 54  0     0  0  0  0  0  0999 V2000
    3.7320   -0.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    2.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    1.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    3.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314    3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -0.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    1.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785    2.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6818    3.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2670    3.9612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -0.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -1.8213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6207    3.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240    4.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4420    3.9770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 28  1  0  0  0  0
  2 23  1  0  0  0  0
  2 30  1  0  0  0  0
  3 24  1  0  0  0  0
  3 29  1  0  0  0  0
  4 27  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 37  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
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 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 20 25  2  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795390

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
565

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzZn9ACCiC0xMqAJ2KA+fJiMb+LEuZuUMCht1BfI6Cew8P8OoAABCAAIAABAAAIQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-8-imidazo[1,2-a]pyridinyl]formamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H21N3O4/c1-28-17-6-4-5-15(9-17)21-12-24-23-20(25-14-27)10-16(13-26(21)23)19-8-7-18(29-2)11-22(19)30-3/h4-14H,1-3H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
SDIPCXFAOKSWQS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
403.15320616

> <PUBCHEM_MOLECULAR_FORMULA>
C23H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
403.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=CC=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=CC=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
74.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
403.15320616

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
10  11  8
10  13  8
12  13  8
14  17  8
14  18  8
15  19  8
15  20  8
17  21  8
18  22  8
19  23  8
20  25  8
21  24  8
22  24  8
23  26  8
25  26  8
5  11  8
5  8  8
5  9  8
6  16  8
6  8  8
8  12  8
9  16  8

$$$$