24891814
  -OEChem-05132423482D

 61 64  0     0  0  0  0  0  0999 V2000
   10.6648    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0749   10.0374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409   11.4034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    9.6713    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730   10.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070   12.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3919    3.4873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    0.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240    4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1648    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347    5.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1648    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6648    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0132    5.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    5.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1648    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3239    6.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560    7.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1648    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1648    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6648    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9409   10.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070   11.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9986    3.6152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771    4.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    3.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8548    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4273    4.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    5.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8548    0.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8548    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9306    6.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635    7.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    7.6725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4748    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2848    1.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2099   10.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 37  1  0  0  0  0
  3 37  1  0  0  0  0
  4 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 61  1  0  0  0  0
  6 38  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 39  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 40  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
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 16 25  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 44  1  0  0  0  0
 19 23  1  0  0  0  0
 19 45  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24891814

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
640

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAEAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHwIQCAAADArBnzQ/uJ/MGgCoAzb3bACCgC0xF6AJ2KA4dpiIaOLBm5GUIAhogALIyCcQgMAOwAAAIAAAAACAAABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-2-[4-(3-chlorophenyl)phenyl]-6-methyl-imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-(3-chlorophenyl)phenyl]-6-methyl-N-(phenylmethyl)-3-imidazo[1,2-a]pyridinamine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-2-[4-(3-chlorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
N-benzyl-2-[4-(3-chlorophenyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(3-chlorophenyl)phenyl]-6-methyl-N-(phenylmethyl)imidazo[1,2-a]pyridin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl-[2-[4-(3-chlorophenyl)phenyl]-6-methyl-imidazo[1,2-a]pyridin-3-yl]amine;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H22ClN3.C2HF3O2/c1-19-10-15-25-30-26(27(31(25)18-19)29-17-20-6-3-2-4-7-20)22-13-11-21(12-14-22)23-8-5-9-24(28)16-23;3-2(4,5)1(6)7/h2-16,18,29H,17H2,1H3;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
COXJJTRYMSHDHW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
537.1430892

> <PUBCHEM_MOLECULAR_FORMULA>
C29H23ClF3N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
538.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C(=NC(=C2NCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl)C=C1.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C(=NC(=C2NCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl)C=C1.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
537.1430892

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
12  17  8
13  19  8
13  20  8
14  16  8
16  18  8
17  18  8
19  23  8
20  24  8
21  27  8
21  28  8
22  23  8
22  24  8
26  29  8
26  30  8
27  31  8
28  32  8
29  34  8
30  35  8
31  33  8
32  33  8
34  36  8
35  36  8
7  10  8
7  12  8
7  14  8
9  11  8
9  12  8

$$$$