56286606
  -OEChem-05052413402D

 45 47  0     0  0  0  0  0  0999 V2000
    7.6279    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2479    1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0202   -1.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7105   -1.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4379    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5910    2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5910    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4379   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    0.1620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179    2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 45  1  0  0  0  0
  2 18  2  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  4 37  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 19  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56286606

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
442

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQCAAADQzBnwQ/tp/MGgCoAzd3dACCgC01MqAJ2KE+fNiIbnbC3ZOUcUhu5hPI2aeYyPCOoAACAAAIAABAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxy-5-isopropyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxy-N-[(7-methyl-2-imidazo[1,2-a]pyridinyl)methyl]-5-propan-2-ylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxy-<I>N</I>-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-propan-2-ylbenzamide

> <PUBCHEM_IUPAC_NAME>
2-hydroxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-propan-2-ylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxidanyl-5-propan-2-yl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxy-5-isopropyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N3O2/c1-12(2)14-4-5-17(23)16(9-14)19(24)20-10-15-11-22-7-6-13(3)8-18(22)21-15/h4-9,11-12,23H,10H2,1-3H3,(H,20,24)

> <PUBCHEM_IUPAC_INCHIKEY>
OYFYLYLWIFJFED-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
323.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
323.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=CC(=C3)C(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=CC(=C3)C(C)C)O

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  17  8
12  19  8
15  20  8
17  20  8
19  22  8
21  23  8
22  23  8
3  12  8
3  16  8
3  21  8
5  12  8
5  9  8
7  15  8
7  8  8
8  10  8
9  16  8

$$$$