(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate

C117H121F11N12O16 — CID 159028664

About (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate

(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate (PubChem CID 159028664) has the molecular formula C117H121F11N12O16 and a molecular weight of 2160.30 g/mol. Its IUPAC name is (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate.

Molecular Properties

• Compound Name: (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate
• PubChem CID: 159028664
• Molecular Formula: C117H121F11N12O16
• Molecular Weight: 2160.30 g/mol
• Exact Mass: 2158.88
• IUPAC Name: (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate
• SMILES: COc1ncc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2C)cc1-c1ccc(N2CC(F)(F)C2)nc1CN1C(=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(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C40H41F5N4O5.C40H43F3N4O6.C37H37F3N4O5/c1-21-11-25(15-28(12-21)40(43,44)45)34-24(4)49(37(51)53-34)18-31-29(9-10-32(47-31)48-19-39(41,42)20-48)30-16-27(17-46-35(30)52-8)33-22(2)13-26(14-23(33)3)36(50)54-38(5,6)7;1-23-16-27(19-29(17-23)40(41,42)43)35-25(3)47(38(49)52-35)22-33-31(10-11-34(45-33)46-12-14-51-15-13-46)32-20-28(21-44-36(32)50-7)30-9-8-26(18-24(30)2)37(48)53-39(4,5)6;1-21-14-26(17-28(15-21)37(38,39)40)34-23(3)44(36(46)49-34)20-32-30(8-9-33(42-32)43-10-12-48-13-11-43)31-18-27(19-41-35(31)47-5)29-7-6-25(24(4)45)16-22(29)2/h9-17,24,34H,18-20H2,1-8H3;8-11,16-21,25,35H,12-15,22H2,1-7H3;6-9,14-19,23,34H,10-13,20H2,1-5H3/t24-,34-;25-,35-;23-,34-/m000/s1
• InChIKey: JUPDMRAXMVKRAA-YBBBNYLXSA-N
• XLogP: 25.16
• TPSA: 291.50 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.30
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate?

The IUPAC name of (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate (CID 159028664) is (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate.

What is the SMILES notation for (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate?

The canonical SMILES for (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate is COc1ncc(-c2c(C)cc(C(=O)OC(C)(C)C)cc2C)cc1-c1ccc(N2CC(F)(F)C2)nc1CN1C(=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(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2ccc(C(C)=O)cc2C)cc1-c1ccc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate?

The InChIKey is JUPDMRAXMVKRAA-YBBBNYLXSA-N. The full InChI is InChI=1S/C40H41F5N4O5.C40H43F3N4O6.C37H37F3N4O5/c1-21-11-25(15-28(12-21)40(43,44)45)34-24(4)49(37(51)53-34)18-31-29(9-10-32(47-31)48-19-39(41,42)20-48)30-16-27(17-46-35(30)52-8)33-22(2)13-26(14-23(33)3)36(50)54-38(5,6)7;1-23-16-27(19-29(17-23)40(41,42)43)35-25(3)47(38(49)52-35)22-33-31(10-11-34(45-33)46-12-14-51-15-13-46)32-20-28(21-44-36(32)50-7)30-9-8-26(18-24(30)2)37(48)53-39(4,5)6;1-21-14-26(17-28(15-21)37(38,39)40)34-23(3)44(36(46)49-34)20-32-30(8-9-33(42-32)43-10-12-48-13-11-43)31-18-27(19-41-35(31)47-5)29-7-6-25(24(4)45)16-22(29)2/h9-17,24,34H,18-20H2,1-8H3;8-11,16-21,25,35H,12-15,22H2,1-7H3;6-9,14-19,23,34H,10-13,20H2,1-5H3/t24-,34-;25-,35-;23-,34-/m000/s1.

What are the key properties of (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate?

(4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate has a molecular weight of 2160.30 g/mol, XLogP of 25.16, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[[3-[5-(4-acetyl-2-methylphenyl)-2-methoxy-3-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;tert-butyl 4-[5-[6-(3,3-difluoroazetidin-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]-3,5-dimethylbenzoate;tert-butyl 4-[6-methoxy-5-[2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-methylbenzoate is sourced from PubChem (CID 159028664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).