49786538
  -OEChem-05102406262D

 53 56  0     0  0  0  0  0  0999 V2000
    4.5981    1.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5225    1.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.4612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1653    3.4122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    2.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8547    2.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1439    3.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -0.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    0.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    3.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009    3.5891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    3.0118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7505    3.7463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0160    4.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9590    4.5706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0834    4.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0360    3.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    2.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
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  3 28  2  0  0  0  0
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  4  9  1  0  0  0  0
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  5  9  2  0  0  0  0
  5 15  1  0  0  0  0
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  7 29  1  0  0  0  0
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 13 18  1  0  0  0  0
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 25 41  1  0  0  0  0
 26 27  2  0  0  0  0
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 27 43  1  0  0  0  0
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 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
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 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49786538

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
630

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzd39ACCiC01MqAJ2KE+fNiMbvLEvZuUMShs1hPI6ae42eOegAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[8-formamido-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[8-formamido-6-(2-methoxyphenyl)-3-imidazo[1,2-a]pyridinyl]-N,N-dimethylbenzamide

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[8-formamido-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[8-formamido-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N4O3/c1-27(2)24(30)17-8-6-7-16(11-17)21-13-25-23-20(26-15-29)12-18(14-28(21)23)19-9-4-5-10-22(19)31-3/h4-15H,1-3H3,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
CIZMEUBNBFYQBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
414.16919058

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
414.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=CC=C4OC

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.16919058

> <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  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  25  8
21  26  8
22  23  8
25  27  8
26  27  8
4  11  8
4  8  8
4  9  8
5  15  8
5  9  8
8  15  8
9  12  8

$$$$