C97H99F7N16O16S — CID 161164536
4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 161164536) has the molecular formula C97H99F7N16O16S and a molecular weight of 1910.01 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 161164536 |
| Molecular Formula | C97H99F7N16O16S |
| Molecular Weight | 1910.01 g/mol |
| Exact Mass | 1908.70 |
| IUPAC Name | 4-fluoro-3-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]benzamide;4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | COc1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccc1F.COc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 |
| InChI | InChI=1S/C25H25F3N4O4.C24H23F3N4O3.C24H25FN4O4.C24H26N4O5S/c1-15-19(17-11-21(24(34)31(2)14-17)32-6-8-36-9-7-32)12-18(13-29-15)30-23(33)16-4-5-22(35-3)20(10-16)25(26,27)28;1-15-3-4-18(29-22(32)16-5-6-28-21(12-16)24(25,26)27)13-19(15)17-11-20(23(33)30(2)14-17)31-7-9-34-10-8-31;1-15-19(17-10-21(24(31)28(2)14-17)29-6-8-33-9-7-29)12-18(13-26-15)27-23(30)16-4-5-20(25)22(11-16)32-3;1-16-4-5-19(26-23(29)17-6-7-25-22(13-17)34(3,31)32)14-20(16)18-12-21(24(30)27(2)15-18)28-8-10-33-11-9-28/h4-5,10-14H,6-9H2,1-3H3,(H,30,33);3-6,11-14H,7-10H2,1-2H3,(H,29,32);4-5,10-14H,6-9H2,1-3H3,(H,27,30);4-7,12-15H,8-11H2,1-3H3,(H,26,29) |
| InChIKey | UQIUGJGBFRGBFZ-UHFFFAOYSA-N |
| XLogP | 12.98 |
| TPSA | 358.44 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1910.01 |
| LogP ≤ 5 | 12.98 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |