C174H169Cl6F10N23O22 — CID 160638021
5-[2-chloro-5-[2-[3-(difluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(2-hydroxypropan-2-yl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide (PubChem CID 160638021) has the molecular formula C174H169Cl6F10N23O22 and a molecular weight of 3337.10 g/mol. Its IUPAC name is 5-[2-chloro-5-[2-[3-(difluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(2-hydroxypropan-2-yl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide.
| Compound Name | 5-[2-chloro-5-[2-[3-(difluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(2-hydroxypropan-2-yl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide |
|---|---|
| PubChem CID | 160638021 |
| Molecular Formula | C174H169Cl6F10N23O22 |
| Molecular Weight | 3337.10 g/mol |
| Exact Mass | 3332.08 |
| IUPAC Name | 5-[2-chloro-5-[2-[3-(difluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(2-hydroxypropan-2-yl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;5-[2-chloro-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(difluoromethyl)benzamide |
| SMILES | CC(C)c1cc(C(=O)Nc2ccc(Cl)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.CC(C)c1cc(C(=O)Nc2cnc(Cl)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cn1cc(-c2cc(C(=O)Cc3cccc(C(C)(C)O)c3)cnc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(C(=O)Cc3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(C(=O)Cc3cccc(C(F)(F)F)c3)cnc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(C(=O)Cc3cccc(C(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.Cn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O |
| InChI | InChI=1S/C26H28ClN3O4.C25H22ClF3N2O3.C25H23ClF2N2O3.C25H27ClN4O3.C25H22F2N4O3.C24H21ClF3N3O3.C24H26ClN5O3/c1-26(2,33)20-6-4-5-17(11-20)12-23(31)18-13-21(24(27)28-15-18)19-14-22(25(32)29(3)16-19)30-7-9-34-10-8-30;1-30-15-18(14-22(24(30)33)31-7-9-34-10-8-31)20-13-17(5-6-21(20)26)23(32)12-16-3-2-4-19(11-16)25(27,28)29;1-29-15-19(14-22(25(29)32)30-7-9-33-10-8-30)20-13-17(5-6-21(20)26)23(31)12-16-3-2-4-18(11-16)24(27)28;1-16(2)22-12-17(6-7-27-22)24(31)28-19-4-5-21(26)20(14-19)18-13-23(25(32)29(3)15-18)30-8-10-33-11-9-30;1-30-15-19(12-22(25(30)33)31-7-9-34-10-8-31)21-13-20(6-5-18(21)14-28)29-24(32)17-4-2-3-16(11-17)23(26)27;1-30-14-17(12-20(23(30)33)31-5-7-34-8-6-31)19-11-16(13-29-22(19)25)21(32)10-15-3-2-4-18(9-15)24(26,27)28;1-15(2)20-10-16(4-5-26-20)23(31)28-18-12-19(22(25)27-13-18)17-11-21(24(32)29(3)14-17)30-6-8-33-9-7-30/h4-6,11,13-16,33H,7-10,12H2,1-3H3;2-6,11,13-15H,7-10,12H2,1H3;2-6,11,13-15,24H,7-10,12H2,1H3;4-7,12-16H,8-11H2,1-3H3,(H,28,31);2-6,11-13,15,23H,7-10H2,1H3,(H,29,32);2-4,9,11-14H,5-8,10H2,1H3;4-5,10-15H,6-9H2,1-3H3,(H,28,31) |
| InChIKey | RIUJNIJUICJCFM-UHFFFAOYSA-N |
| XLogP | 29.83 |
| TPSA | 505.34 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 235 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3337.10 |
| LogP ≤ 5 | 29.83 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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