(4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C91H94F9N19O9 — CID 158201995

About (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 158201995) has the molecular formula C91H94F9N19O9 and a molecular weight of 1768.86 g/mol. Its IUPAC name is (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 158201995
• Molecular Formula: C91H94F9N19O9
• Molecular Weight: 1768.86 g/mol
• Exact Mass: 1767.73
• IUPAC Name: (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: COc1ncc(-c2c(C)nn(C)c2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2cnn(C)c2)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(C2CC2)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C)c2)[C@@H]1C
• InChI: InChI=1S/C32H33F4N7O3.C30H29F4N7O3.C29H32FN5O3/c1-16-7-20(9-22(8-16)32(34,35)36)28-19(4)43(31(44)46-28)15-26-25(12-38-30(39-26)42-13-23(33)14-42)24-10-21(11-37-29(24)45-6)27-17(2)40-41(5)18(27)3;1-16-5-18(7-21(6-16)30(32,33)34)26-17(2)41(29(42)44-26)15-25-24(11-36-28(38-25)40-13-22(31)14-40)23-8-19(9-35-27(23)43-4)20-10-37-39(3)12-20;1-16-7-17(2)9-20(8-16)26-18(3)35(29(36)38-26)15-25-24(12-32-28(33-25)34-13-22(30)14-34)23-10-21(19-5-6-19)11-31-27(23)37-4/h7-12,19,23,28H,13-15H2,1-6H3;5-12,17,22,26H,13-15H2,1-4H3;7-12,18-19,22,26H,5-6,13-15H2,1-4H3/t19-,28-;17-,26-;18-,26-/m000/s1
• InChIKey: GBAZKPWXSSHDQT-ISFUPAACSA-N
• XLogP: 16.93
• TPSA: 277.68 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.86
LogP ≤ 5	16.93
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-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 158201995) is (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1ncc(-c2c(C)nn(C)c2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(-c2cnn(C)c2)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.COc1ncc(C2CC2)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C)c2)[C@@H]1C.

What is the InChIKey of (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is GBAZKPWXSSHDQT-ISFUPAACSA-N. The full InChI is InChI=1S/C32H33F4N7O3.C30H29F4N7O3.C29H32FN5O3/c1-16-7-20(9-22(8-16)32(34,35)36)28-19(4)43(31(44)46-28)15-26-25(12-38-30(39-26)42-13-23(33)14-42)24-10-21(11-37-29(24)45-6)27-17(2)40-41(5)18(27)3;1-16-5-18(7-21(6-16)30(32,33)34)26-17(2)41(29(42)44-26)15-25-24(11-36-28(38-25)40-13-22(31)14-40)23-8-19(9-35-27(23)43-4)20-10-37-39(3)12-20;1-16-7-17(2)9-20(8-16)26-18(3)35(29(36)38-26)15-25-24(12-32-28(33-25)34-13-22(30)14-34)23-10-21(19-5-6-19)11-31-27(23)37-4/h7-12,19,23,28H,13-15H2,1-6H3;5-12,17,22,26H,13-15H2,1-4H3;7-12,18-19,22,26H,5-6,13-15H2,1-4H3/t19-,28-;17-,26-;18-,26-/m000/s1.

What are the key properties of (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?

(4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 1768.86 g/mol, XLogP of 16.93, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[[5-(5-cyclopropyl-2-methoxy-3-pyridinyl)-2-(3-fluoroazetidin-1-yl)pyrimidin-4-yl]methyl]-5-(3,5-dimethylphenyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;(4S,5R)-3-[[2-(3-fluoroazetidin-1-yl)-5-[2-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]pyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158201995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).