59680344
  -OEChem-04192419252D

 51 54  0     0  0  0  0  0  0999 V2000
    3.7619    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    3.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.7688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -4.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -1.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -1.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -4.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3819    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -2.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3819    3.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.7181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    3.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5719    4.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    4.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 28  1  0  0  0  0
  2 24  1  0  0  0  0
  2 29  1  0  0  0  0
  3 25  1  0  0  0  0
  3 30  1  0  0  0  0
  4 17  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  2  0  0  0  0
 10 15  2  0  0  0  0
 11 18  1  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 34  1  0  0  0  0
 16 26  2  0  0  0  0
 16 35  1  0  0  0  0
 18 27  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 40  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59680344

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/9p/MHACoAzd3dACCiC01MqAJ2CE+/NiNb/LE/ZuUMSpt1BfK6ae6/J7OIAABCAACQABAAAIQAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(2-imidazo[1,2-a]pyridinyl)phenyl]-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxy-benzamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
ACXZLFQBVHEJGC-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(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=CN4C=CC=CC4=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC=C2C3=CN4C=CC=CC4=N3

> <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  15  8
11  18  8
13  19  8
14  21  8
14  22  8
15  20  8
16  26  8
18  27  8
19  20  8
21  24  8
22  23  8
23  25  8
24  25  8
26  27  8
5  11  8
5  12  8
5  16  8
6  11  8
6  9  8
8  10  8
8  13  8
9  12  8

$$$$