C163H146Cl6F20N28O22 — CID 158472531
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 158472531) has the molecular formula C163H146Cl6F20N28O22 and a molecular weight of 3441.81 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide |
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| PubChem CID | 158472531 |
| Molecular Formula | C163H146Cl6F20N28O22 |
| Molecular Weight | 3441.81 g/mol |
| Exact Mass | 3436.90 |
| IUPAC Name | N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide |
| SMILES | COc1ccc(C(=O)Nc2cnc(Cl)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)cnc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)cnc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2Cl)cc(N2CCOCC2)c1=O |
| InChI | InChI=1S/C24H22ClF3N4O4.C24H21ClF3N3O3.C24H21F4N3O3.C23H20ClF3N4O3.C23H22ClF2N5O3.C23H21ClF2N4O3.C22H19ClF3N5O3/c1-31-13-15(10-19(23(31)34)32-5-7-36-8-6-32)17-11-16(12-29-21(17)25)30-22(33)14-3-4-20(35-2)18(9-14)24(26,27)28;2*1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-13-18(5-6-20(19)25)29-22(32)15-3-2-4-17(11-15)24(26,27)28;1-30-13-15(10-19(22(30)33)31-5-7-34-8-6-31)18-11-17(12-28-20(18)24)29-21(32)14-3-2-4-16(9-14)23(25,26)27;1-23(25,26)19-10-14(3-4-27-19)21(32)29-16-11-17(20(24)28-12-16)15-9-18(22(33)30(2)13-15)31-5-7-34-8-6-31;1-29-13-16(10-19(23(29)32)30-5-7-33-8-6-30)18-11-17(12-27-20(18)24)28-22(31)15-4-2-3-14(9-15)21(25)26;1-30-12-14(8-17(21(30)33)31-4-6-34-7-5-31)16-10-15(11-28-19(16)23)29-20(32)13-2-3-27-18(9-13)22(24,25)26/h3-4,9-13H,5-8H2,1-2H3,(H,30,33);2*2-6,11-14H,7-10H2,1H3,(H,29,32);2-4,9-13H,5-8H2,1H3,(H,29,32);3-4,9-13H,5-8H2,1-2H3,(H,29,32);2-4,9-13,21H,5-8H2,1H3,(H,28,31);2-3,8-12H,4-7H2,1H3,(H,29,32) |
| InChIKey | HGNINENKGRLOKQ-UHFFFAOYSA-N |
| XLogP | 28.96 |
| TPSA | 544.45 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3441.81 |
| LogP ≤ 5 | 28.96 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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