C168H150Cl5F20N25O22 — CID 157373116
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 157373116) has the molecular formula C168H150Cl5F20N25O22 and a molecular weight of 3428.43 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;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]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157373116 |
| Molecular Formula | C168H150Cl5F20N25O22 |
| Molecular Weight | 3428.43 g/mol |
| Exact Mass | 3423.95 |
| IUPAC Name | N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-4-methoxy-3-(trifluoromethyl)benzamide;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;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)ccc2C#N)cc(N2CCOCC2)c1=O.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)c3)ccc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O |
| InChI | InChI=1S/C25H21F3N4O3.C24H22ClF3N4O4.C24H21ClF3N3O3.C24H23ClF2N4O3.C24H22ClF2N3O3.C24H21F4N3O3.C23H20ClF3N4O3/c1-31-15-18(12-22(24(31)34)32-7-9-35-10-8-32)21-13-20(6-5-17(21)14-29)30-23(33)16-3-2-4-19(11-16)25(26,27)28;1-31-13-15(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;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;1-24(26,27)21-12-15(5-6-28-21)22(32)29-17-3-4-19(25)18(13-17)16-11-20(23(33)30(2)14-16)31-7-9-34-10-8-31;1-29-14-17(12-21(24(29)32)30-7-9-33-10-8-30)19-13-18(5-6-20(19)25)28-23(31)16-4-2-3-15(11-16)22(26)27;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)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h2-6,11-13,15H,7-10H2,1H3,(H,30,33);3-4,9-13H,5-8H2,1-2H3,(H,30,33);2-6,11-14H,7-10H2,1H3,(H,29,32);3-6,11-14H,7-10H2,1-2H3,(H,29,32);2-6,11-14,22H,7-10H2,1H3,(H,28,31);2-6,11-14H,7-10H2,1H3,(H,29,32);2-5,10-13H,6-9H2,1H3,(H,29,32) |
| InChIKey | BJZPDFFANLQXDZ-UHFFFAOYSA-N |
| XLogP | 30.60 |
| TPSA | 516.68 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 240 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3428.43 |
| LogP ≤ 5 | 30.60 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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