68487275
  -OEChem-05032419052D

 51 54  0     0  0  0  0  0  0999 V2000
    3.7320   -2.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1816    3.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744   -1.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4707    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4580   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172    2.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1636    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8279    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4743    2.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8064    3.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    3.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.6955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0780   -0.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -5.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -5.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9106    2.0685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5777    1.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0809    2.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9990    3.9424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0567    5.3032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0774    4.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 23  1  0  0  0  0
  2 29  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  2  0  0  0  0
  4 17  1  0  0  0  0
  5 23  2  0  0  0  0
  5 24  1  0  0  0  0
  6 29  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  2  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 31  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 22  1  0  0  0  0
 16 24  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 25  1  0  0  0  0
 20 43  1  0  0  0  0
 21 27  2  0  0  0  0
 21 44  1  0  0  0  0
 22 26  2  0  0  0  0
 22 45  1  0  0  0  0
 23 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68487275

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
557

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAQAAAADQjhnwY/tJ9MHACoAzd3dACCiC01MqAJ2CE+fNiMbvLEvZueOSjswBPI6aeY2fCegAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[7-(6-isobutoxy-3-pyridyl)imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[7-[6-(2-methylpropoxy)-3-pyridinyl]-3-imidazo[1,2-a]pyridinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[7-[6-(2-methylpropoxy)pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
3-[7-[6-(2-methylpropoxy)pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[7-[6-(2-methylpropoxy)pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[7-(6-isobutoxy-3-pyridyl)imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22N4O2/c1-15(2)14-29-22-7-6-19(12-26-22)16-8-9-27-20(13-25-21(27)11-16)17-4-3-5-18(10-17)23(24)28/h3-13,15H,14H2,1-2H3,(H2,24,28)

> <PUBCHEM_IUPAC_INCHIKEY>
GRTACEORZTZUNY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
386.17427596

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
386.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)COC1=NC=C(C=C1)C2=CC3=NC=C(N3C=C2)C4=CC(=CC=C4)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)COC1=NC=C(C=C1)C2=CC3=NC=C(N3C=C2)C4=CC(=CC=C4)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
82.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.17427596

> <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  15  8
12  20  8
12  21  8
13  15  8
16  22  8
16  24  8
20  25  8
21  27  8
22  26  8
23  26  8
25  28  8
27  28  8
3  13  8
3  7  8
3  8  8
4  17  8
4  8  8
5  23  8
5  24  8
7  17  8
8  11  8

$$$$