46942834
  -OEChem-04192416182D

 52 55  0     0  0  0  0  0  0999 V2000
    4.5981    2.5744    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
    9.5832    4.4256    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
    8.0622   -1.4256    0.0000 C   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
    6.3301   -0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.3301   -1.4256    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
    5.4641    0.0744    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
    8.6512    1.5740    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
    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
    4.5981    1.5744    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
    8.9619    2.5245    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
    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
   10.2510    3.6813    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
   11.2296    3.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0744    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
    8.0445    1.4461    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
    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
    7.7331   -3.2356    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
   11.2149    2.1143    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
   11.3574    3.2808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8362    4.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017    4.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.6114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.5375    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 21  1  0  0  0  0
  1 30  1  0  0  0  0
  2 26  1  0  0  0  0
  2 31  1  0  0  0  0
  3 27  2  0  0  0  0
  4 28  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 28  1  0  0  0  0
  7 39  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  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 15  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 13 33  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
 15 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  1  0  0  0  0
 17 35  1  0  0  0  0
 18 24  2  0  0  0  0
 18 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 25  2  0  0  0  0
 20 38  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 27  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 27 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46942834

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
624

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoA7Z39ACCiC01MqAJ2KE+/NiNbvLEvZuUMSps1BPK6aeY2PKO4AABAAAAQADAAAIAAACAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O4/c1-15(29)16-4-6-17(7-5-16)21-12-25-24-20(26-14-28)10-19(13-27(21)24)18-8-9-22(30-2)23(11-18)31-3/h4-14H,1-3H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
WRMCETVYYSMJDY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
415.15320616

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
415.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC(=C(C=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
81.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.15320616

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  23  8
18  24  8
19  21  8
20  25  8
21  26  8
22  23  8
22  24  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

$$$$