C117H93F23N12O27 — CID 158870365
N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-2-methoxy-3-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)-4-(trifluoromethoxy)benzamide;N-(2-acetyl-4-pyridinyl)-4-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 158870365) has the molecular formula C117H93F23N12O27 and a molecular weight of 2542.08 g/mol. Its IUPAC name is N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-2-methoxy-3-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)-4-(trifluoromethoxy)benzamide;N-(2-acetyl-4-pyridinyl)-4-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide.
| Compound Name | N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-2-methoxy-3-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)-4-(trifluoromethoxy)benzamide;N-(2-acetyl-4-pyridinyl)-4-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide |
|---|---|
| PubChem CID | 158870365 |
| Molecular Formula | C117H93F23N12O27 |
| Molecular Weight | 2542.08 g/mol |
| Exact Mass | 2540.63 |
| IUPAC Name | N-(2-acetyl-5-methyl-4-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(2-acetyl-5-methyl-4-pyridinyl)-2-methoxy-3-methyl-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide;N-(2-acetyl-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)-4-(trifluoromethoxy)benzamide;N-(2-acetyl-4-pyridinyl)-4-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzamide |
| SMILES | COc1cc(F)ccc1Oc1cc(OC(F)(F)F)ccc1C(=O)Nc1ccnc(C(C)=O)c1.COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(F)c1C(=O)Nc1cc(C(C)=O)ncc1C.COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(OC)c1C(=O)Nc1cc(C(C)=O)ncc1C.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(C)ccc1C(=O)Nc1ccnc(C(C)=O)c1.[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1ccc(C)c(OC)c1C(=O)Nc1cc(C(C)=O)ncc1C |
| InChI | InChI=1S/C25H23F3N2O6.C24H19F6N3O6.C23H16F7N3O5.C23H19F3N2O5.C22H16F4N2O5/c1-13-6-8-20(35-19-9-7-16(10-21(19)33-4)36-25(26,27)28)22(23(13)34-5)24(32)30-17-11-18(15(3)31)29-12-14(17)2;1-11-9-31-15(12(2)34)8-14(11)33-22(35)19-18(10-32-21(20(19)37-4)23(25,26)27)38-16-6-5-13(7-17(16)36-3)39-24(28,29)30;1-10-8-31-14(11(2)34)7-13(10)33-21(35)18-17(9-32-20(19(18)24)22(25,26)27)37-15-5-4-12(6-16(15)36-3)38-23(28,29)30;1-13-4-6-17(22(30)28-15-8-9-27-18(11-15)14(2)29)20(10-13)32-19-7-5-16(12-21(19)31-3)33-23(24,25)26;1-12(29)17-10-14(7-8-27-17)28-21(30)16-5-4-15(33-22(24,25)26)11-19(16)32-18-6-3-13(23)9-20(18)31-2/h6-12H,1-5H3,(H,29,30,32);5-10H,1-4H3,(H,31,33,35);4-9H,1-3H3,(H,31,33,35);4-12H,1-3H3,(H,27,28,30);3-11H,1-2H3,(H,27,28,30)/i4D3;;;3D3; |
| InChIKey | JBTMSSVMOHLTLE-DJEIKHSISA-N |
| XLogP | 28.85 |
| TPSA | 477.99 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2542.08 |
| LogP ≤ 5 | 28.85 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 34 |