49795178
  -OEChem-04262422482D

 51 54  0     0  0  0  0  0  0999 V2000
   11.5867    2.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2510    3.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -1.7303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    2.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2546    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5832    4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   -0.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116    0.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445    1.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5478    2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7931    1.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6686    0.9869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7160    1.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0447    4.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    4.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1217    4.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 28  1  0  0  0  0
  2 23  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 30  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
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  6  9  2  0  0  0  0
  6 15  1  0  0  0  0
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  7 27  1  0  0  0  0
  7 36  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 17  2  0  0  0  0
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 24 26  2  0  0  0  0
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 25 26  1  0  0  0  0
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 27 42  1  0  0  0  0
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 28 44  1  0  0  0  0
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 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
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 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
557

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzZn9ACCiC0xMqAJ2KA+/JiNbuLEuZuUMCps1BPK6Cew0PMOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
KSLGHTLCKVSWDQ-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(=C(C=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=C(C=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  14  8
12  14  8
13  17  8
13  18  8
16  20  8
16  21  8
17  19  8
18  22  8
19  23  8
20  24  8
21  25  8
22  23  8
24  26  8
25  26  8
5  11  8
5  8  8
5  9  8
6  15  8
6  9  8
8  15  8
9  12  8

$$$$