59781330
  -OEChem-05132412022D

 52 55  0     0  0  0  0  0  0999 V2000
    6.4763    0.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8264    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.9936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871   -0.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406    1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    2.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -1.7257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -0.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804   -0.8172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -3.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -3.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -2.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7473    2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    0.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654    3.2896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5769    1.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    3.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3297    4.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    4.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 20  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 41  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59781330

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
540

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzBnwY/tp/MHACoAzd3dACCiC01MqAJ2KE+fNiMbvLE/ZuUMShsxhPI6aeY3MLOYAAAAAAAAADAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methoxy-N-[[6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-methoxy-N-[[6-methyl-2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methoxy-<I>N</I>-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-methoxy-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxy-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-methoxy-N-[[6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N3O2/c1-16-4-7-18(8-5-16)23-21(27-15-17(2)6-13-22(27)26-23)14-25-24(28)19-9-11-20(29-3)12-10-19/h4-13,15H,14H2,1-3H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
UWMJDTPRVAEWFB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.8

> <PUBCHEM_EXACT_MASS>
385.17902698

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
385.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CNC(=O)C4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CNC(=O)C4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.17902698

> <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  12  8
11  15  8
11  16  8
12  14  8
13  14  8
15  19  8
16  20  8
18  19  8
18  20  8
22  24  8
22  25  8
24  26  8
25  27  8
26  28  8
27  28  8
3  10  8
3  6  8
3  8  8
4  7  8
4  8  8
6  7  8
8  13  8

$$$$