70296765
  -OEChem-04252408472D

 43 45  0     0  0  0  0  0  0999 V2000
    3.4030   -0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133    1.0676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8133    2.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -0.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -0.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7133    3.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3166    4.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    3.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    1.2524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0169    1.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969    2.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -2.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -1.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.2476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5 23  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  2  0  0  0  0
 15 23  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70296765

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADAjBnwQ/8J/MGACoAzd3dACCgC01EqAJ2KE4dNiIaPLAnZGUIQhokALIyacciMCOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[(2,3-dimethyl-8-imidazo[1,2-a]pyridinyl)amino]methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_NAME>
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N4O/c1-11-6-4-7-14(17(19)23)15(11)10-20-16-8-5-9-22-13(3)12(2)21-18(16)22/h4-9,20H,10H2,1-3H3,(H2,19,23)

> <PUBCHEM_IUPAC_INCHIKEY>
WIRKQHPWPMRPNS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
308.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
308.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C(=O)N)CNC2=CC=CN3C2=NC(=C3C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C(=O)N)CNC2=CC=CN3C2=NC(=C3C)C

> <PUBCHEM_CACTVS_TPSA>
72.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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
10  15  8
12  16  8
13  16  8
14  19  8
15  20  8
19  22  8
2  12  8
2  6  8
2  8  8
20  22  8
4  11  8
4  6  8
6  7  8
7  13  8
8  11  8

$$$$