4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C103H91F19N14O15 — CID 158417870

About 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 158417870) has the molecular formula C103H91F19N14O15 and a molecular weight of 2125.91 g/mol. Its IUPAC name is 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
• PubChem CID: 158417870
• Molecular Formula: C103H91F19N14O15
• Molecular Weight: 2125.91 g/mol
• Exact Mass: 2124.65
• IUPAC Name: 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
• SMILES: COc1c(F)cc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1c(F)cc(-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.COc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1-c1c(C)cc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C37H35F4N3O5.C34H31F6N5O5.C32H25F9N6O5/c1-19-11-25(15-26(12-19)37(39,40)41)33-22(4)44(36(47)49-33)18-30-32(21(3)14-31(42-30)43-9-6-10-43)28-16-24(17-29(38)34(28)48-5)27-8-7-23(35(45)46)13-20(27)2;1-17-10-20(13-21(11-17)33(35,36)37)29-19(3)44(32(48)50-29)16-25-28(18(2)12-27(42-25)43-8-5-9-43)23-14-22(6-7-26(23)49-4)45-30(34(38,39)40)24(15-41-45)31(46)47;1-14-4-16(6-17(5-14)31(36,37)38)24-15(2)46(29(50)52-24)11-23-20(9-42-28(44-23)45-12-30(34,35)13-45)19-7-18(8-22(33)25(19)51-3)47-26(32(39,40)41)21(10-43-47)27(48)49/h7-8,11-17,22,33H,6,9-10,18H2,1-5H3,(H,45,46);6-7,10-15,19,29H,5,8-9,16H2,1-4H3,(H,46,47);4-10,15,24H,11-13H2,1-3H3,(H,48,49)/t22-,33-;19-,29-;15-,24-/m000/s1
• InChIKey: HACVEBYGYRAVQW-ZORPNEDISA-N
• XLogP: 23.14
• TPSA: 325.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.91
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 158417870) is 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

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

The canonical SMILES for 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is COc1c(F)cc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1c(F)cc(-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.COc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1-c1c(C)cc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.

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

The InChIKey is HACVEBYGYRAVQW-ZORPNEDISA-N. The full InChI is InChI=1S/C37H35F4N3O5.C34H31F6N5O5.C32H25F9N6O5/c1-19-11-25(15-26(12-19)37(39,40)41)33-22(4)44(36(47)49-33)18-30-32(21(3)14-31(42-30)43-9-6-10-43)28-16-24(17-29(38)34(28)48-5)27-8-7-23(35(45)46)13-20(27)2;1-17-10-20(13-21(11-17)33(35,36)37)29-19(3)44(32(48)50-29)16-25-28(18(2)12-27(42-25)43-8-5-9-43)23-14-22(6-7-26(23)49-4)45-30(34(38,39)40)24(15-41-45)31(46)47;1-14-4-16(6-17(5-14)31(36,37)38)24-15(2)46(29(50)52-24)11-23-20(9-42-28(44-23)45-12-30(34,35)13-45)19-7-18(8-22(33)25(19)51-3)47-26(32(39,40)41)21(10-43-47)27(48)49/h7-8,11-17,22,33H,6,9-10,18H2,1-5H3,(H,45,46);6-7,10-15,19,29H,5,8-9,16H2,1-4H3,(H,46,47);4-10,15,24H,11-13H2,1-3H3,(H,48,49)/t22-,33-;19-,29-;15-,24-/m000/s1.

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

4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 2125.91 g/mol, XLogP of 23.14, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-fluoro-4-methoxyphenyl]-3-methylbenzoic acid;1-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-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]-5-fluoro-4-methoxyphenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 158417870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).