About (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate
(4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate (PubChem CID 160654187) has the molecular formula C137H138F13N17O16
and a molecular weight of 2525.69 g/mol. Its IUPAC name is (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate.
Frequently Asked Questions
What is the IUPAC name of (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?
The IUPAC name of (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate (CID 160654187) is (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate.
What is the SMILES notation for (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?
The canonical SMILES for (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate is COc1ncc(-c2c(C)cc(C(C)=O)cc2C)cc1-c1cnc(N2CC(F)(F)C2)cc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2ccc(C(=O)OC(C)(C)C)cc2C)cc1-c1ccc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.Cc1cc(C)cc([C@H]2OC(=O)N(Cc3nc(N4CCC4)ncc3-c3c(C)noc3C)[C@H]2C)c1.
What is the InChIKey of (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?
The InChIKey is RKVDCMZYNWPWPL-ZCXWZVONSA-N. The full InChI is InChI=1S/C39H40F4N4O5.C37H35F5N4O4.C36H34F4N4O4.C25H29N5O3/c1-21-12-25(15-27(13-21)39(41,42)43)34-23(3)47(37(49)51-34)20-32-30(10-11-33(45-32)46-18-28(40)19-46)31-16-26(17-44-35(31)50-7)29-9-8-24(14-22(29)2)36(48)52-38(4,5)6;1-19-7-25(11-28(8-19)37(40,41)42)33-22(4)46(35(48)50-33)16-27-13-31(45-17-36(38,39)18-45)43-15-30(27)29-12-26(14-44-34(29)49-6)32-20(2)9-24(23(5)47)10-21(32)3;1-19-10-24(13-26(11-19)36(38,39)40)33-21(3)44(35(46)48-33)18-31-29(8-9-32(42-31)43-16-27(37)17-43)30-14-25(15-41-34(30)47-5)28-7-6-23(22(4)45)12-20(28)2;1-14-9-15(2)11-19(10-14)23-17(4)30(25(31)32-23)13-21-20(22-16(3)28-33-18(22)5)12-26-24(27-21)29-7-6-8-29/h8-17,23,28,34H,18-20H2,1-7H3;7-15,22,33H,16-18H2,1-6H3;6-15,21,27,33H,16-18H2,1-5H3;9-12,17,23H,6-8,13H2,1-5H3/t23-,34-;22-,33-;21-,33-;17-,23-/m0000/s1.
What are the key properties of (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?
(4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate has a molecular weight of 2525.69 g/mol, XLogP of 29.71, 29 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[[5-[5-(4-acetyl-2,6-dimethylphenyl)-2-methoxy-3-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-(3-fluoroazetidin-1-yl)-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(azetidin-1-yl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3-fluoroazetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylbenzoate is sourced from PubChem (CID 160654187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).