49778412
  -OEChem-04252401012D

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    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
    4.5981    1.5744    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
    8.0622   -1.4256    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
    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
    9.9404    2.7307    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
    8.9619    2.5245    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
    5.4641    1.0744    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
   10.2510    3.6813    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
   11.2296    3.8875    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
   11.2149    2.1143    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   -1.0456    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
    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
    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 26  1  0  0  0  0
  1 29  1  0  0  0  0
  2 25  2  0  0  0  0
  3 27  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  6 35  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
49778412

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
580

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAQAAAADAzBnwY/9J/MHACoA7Z39ACCiC01MqAJ2KE+fNiMbvLEvZuUMShs1BPI6aeY2PCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H18N4O3/c1-14(28)15-3-5-16(6-4-15)20-11-24-22-19(25-13-27)9-18(12-26(20)22)17-7-8-21(29-2)23-10-17/h3-13H,1-2H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
AXELKJMRWRGESP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
386.13789045

> <PUBCHEM_MOLECULAR_FORMULA>
C22H18N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
386.4

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

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

> <PUBCHEM_CACTVS_TPSA>
85.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.13789045

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  22  8
16  23  8
17  20  8
18  21  8
19  20  8
19  21  8
22  24  8
24  26  8
4  11  8
4  8  8
4  9  8
5  15  8
5  9  8
7  23  8
7  26  8
8  15  8
9  12  8

$$$$