6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate

C101H83F23N16O15 — CID 162092226

About 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate

6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate (PubChem CID 162092226) has the molecular formula C101H83F23N16O15 and a molecular weight of 2197.83 g/mol. Its IUPAC name is 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate
• PubChem CID: 162092226
• Molecular Formula: C101H83F23N16O15
• Molecular Weight: 2197.83 g/mol
• Exact Mass: 2196.59
• IUPAC Name: 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate
• SMILES: COC(=O)c1cc(C)c(-c2cc(-c3cnc(N4CC(F)(F)C4)nc3CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)c(OC)cc2F)cn1.COc1cc(F)c(-c2cc(C(F)(F)F)c(C(=O)O)cn2)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C35H31F6N5O5.C34H26F9N5O5.C32H26F8N6O5/c1-17-6-20(9-21(7-17)35(39,40)41)30-19(3)46(33(48)51-30)14-28-25(13-43-32(44-28)45-15-34(37,38)16-45)23-10-22(26(36)11-29(23)49-4)24-12-42-27(8-18(24)2)31(47)50-5;1-15-4-17(6-18(5-15)33(38,39)40)28-16(2)48(31(51)53-28)12-26-21(10-45-30(46-26)47-13-32(36,37)14-47)19-7-20(24(35)9-27(19)52-3)25-8-23(34(41,42)43)22(11-44-25)29(49)50;1-15-6-17(8-18(7-15)31(35,36)37)25-16(2)45(29(49)51-25)12-23-21(10-41-28(43-23)44-13-30(33,34)14-44)20-9-19(4-5-24(20)50-3)46-26(32(38,39)40)22(11-42-46)27(47)48/h6-13,19,30H,14-16H2,1-5H3;4-11,16,28H,12-14H2,1-3H3,(H,49,50);4-11,16,25H,12-14H2,1-3H3,(H,47,48)/t19-,30-;16-,28-;16-,25-/m000/s1
• InChIKey: ZDTQVNLSWDRHMS-KTXOJPLWSA-N
• XLogP: 22.17
• TPSA: 347.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.83
LogP ≤ 5	22.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate?

The IUPAC name of 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate (CID 162092226) is 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate.

What is the SMILES notation for 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate?

The canonical SMILES for 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)c(-c2cc(-c3cnc(N4CC(F)(F)C4)nc3CN3C(=O)O[C@H](c4cc(C)cc(C(F)(F)F)c4)[C@@H]3C)c(OC)cc2F)cn1.COc1cc(F)c(-c2cc(C(F)(F)F)c(C(=O)O)cn2)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1-c1cnc(N2CC(F)(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate?

The InChIKey is ZDTQVNLSWDRHMS-KTXOJPLWSA-N. The full InChI is InChI=1S/C35H31F6N5O5.C34H26F9N5O5.C32H26F8N6O5/c1-17-6-20(9-21(7-17)35(39,40)41)30-19(3)46(33(48)51-30)14-28-25(13-43-32(44-28)45-15-34(37,38)16-45)23-10-22(26(36)11-29(23)49-4)24-12-42-27(8-18(24)2)31(47)50-5;1-15-4-17(6-18(5-15)33(38,39)40)28-16(2)48(31(51)53-28)12-26-21(10-45-30(46-26)47-13-32(36,37)14-47)19-7-20(24(35)9-27(19)52-3)25-8-23(34(41,42)43)22(11-44-25)29(49)50;1-15-6-17(8-18(7-15)31(35,36)37)25-16(2)45(29(49)51-25)12-23-21(10-41-28(43-23)44-13-30(33,34)14-44)20-9-19(4-5-24(20)50-3)46-26(32(38,39)40)22(11-42-46)27(47)48/h6-13,19,30H,14-16H2,1-5H3;4-11,16,28H,12-14H2,1-3H3,(H,49,50);4-11,16,25H,12-14H2,1-3H3,(H,47,48)/t19-,30-;16-,28-;16-,25-/m000/s1.

What are the key properties of 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate?

6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate has a molecular weight of 2197.83 g/mol, XLogP of 22.17, 24 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;methyl 5-[5-[2-(3,3-difluoroazetidin-1-yl)-4-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]pyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 162092226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).