68902824
  -OEChem-04262412242D

 50 53  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -3.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.3047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -2.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -0.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -1.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2773   -3.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9676   -3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4800   -3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600   -2.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 22  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  2  0  0  0  0
  4 16  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  1  0  0  0  0
  5 36  1  0  0  0  0
  6 22  1  0  0  0  0
  6 26  1  0  0  0  0
  6 41  1  0  0  0  0
  7 21  1  0  0  0  0
  7 25  2  0  0  0  0
  8 20  1  0  0  0  0
  8 28  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 24  2  0  0  0  0
 21 38  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  1  0  0  0  0
 24 40  1  0  0  0  0
 25 42  1  0  0  0  0
 26 30  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68902824

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
602

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB/gAAHgAQAAAADAzBnwQ/sJ/MGACoA7Z3dACCgC03EqAJ2KG4dNiIaPrAnbGUIQholwLIyacYiMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-ethyl-3-[5-[2-oxo-2-(2-pyridyl)ethyl]-7-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-ethyl-3-[5-[2-oxo-2-(2-pyridinyl)ethyl]-7-(3-pyridinyl)-2-imidazo[1,2-a]pyridinyl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-ethyl-3-[5-(2-oxo-2-pyridin-2-ylethyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

> <PUBCHEM_IUPAC_NAME>
1-ethyl-3-[5-(2-oxo-2-pyridin-2-ylethyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-ethyl-3-[5-(2-oxidanylidene-2-pyridin-2-yl-ethyl)-7-pyridin-3-yl-imidazo[1,2-a]pyridin-2-yl]urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-ethyl-3-[5-[2-keto-2-(2-pyridyl)ethyl]-7-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20N6O2/c1-2-24-22(30)27-20-14-28-17(12-19(29)18-7-3-4-9-25-18)10-16(11-21(28)26-20)15-6-5-8-23-13-15/h3-11,13-14H,2,12H2,1H3,(H2,24,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
OBEIHAJWVBSCHA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
400.16477390

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
400.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)NC1=CN2C(=CC(=CC2=N1)C3=CN=CC=C3)CC(=O)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)NC1=CN2C(=CC(=CC2=N1)C3=CN=CC=C3)CC(=O)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
400.16477390

> <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  14  8
11  13  8
11  14  8
15  16  8
17  19  8
17  21  8
19  23  8
20  24  8
23  25  8
24  27  8
27  29  8
28  29  8
3  10  8
3  15  8
3  9  8
4  10  8
4  16  8
7  21  8
7  25  8
8  20  8
8  28  8
9  13  8

$$$$