49795586
  -OEChem-05122400422D

 55 58  0     0  0  0  0  0  0999 V2000
    3.7320   -1.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    2.1926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850    3.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.7303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    1.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    2.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7172    4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -0.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    0.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785    1.4461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6818    2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.1156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -1.3886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271    1.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8026    0.9869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500    1.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1786    4.8396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3031    4.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2557    4.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 29  1  0  0  0  0
  2 22  1  0  0  0  0
  2 30  1  0  0  0  0
  3 25  1  0  0  0  0
  3 31  1  0  0  0  0
  4 27  1  0  0  0  0
  4 32  1  0  0  0  0
  5 28  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  8 39  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  2  0  0  0  0
 21 38  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 23 40  1  0  0  0  0
 24 27  2  0  0  0  0
 24 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  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
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795586

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzZn9ACCiC0xMqAJ2KA+/JiNb+LEuZuUMCpt1BfK6Cew8P8OoAABCAAIQABAAAIQABCAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O5/c1-29-17-6-7-18(22(11-17)31-3)16-9-19(26-14-28)24-25-12-20(27(24)13-16)15-5-8-21(30-2)23(10-15)32-4/h5-14H,1-4H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
BVVGNRZFECOTBX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
433.16377084

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
433.5

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

> <PUBCHEM_CACTVS_TPSA>
83.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.16377084

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  13  8
11  12  8
11  14  8
13  14  8
15  19  8
15  20  8
16  18  8
16  21  8
18  24  8
19  22  8
20  23  8
21  26  8
22  25  8
23  25  8
24  27  8
26  27  8
6  10  8
6  12  8
6  9  8
7  10  8
7  17  8
9  17  8

$$$$