4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate

C69H54F12N12O10 — CID 118021434

About 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate

4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate (PubChem CID 118021434) has the molecular formula C69H54F12N12O10 and a molecular weight of 1439.24 g/mol. Its IUPAC name is 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate.

Molecular Properties

• Compound Name: 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate
• PubChem CID: 118021434
• Molecular Formula: C69H54F12N12O10
• Molecular Weight: 1439.24 g/mol
• Exact Mass: 1438.39
• IUPAC Name: 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate
• SMILES: COC(=O)c1ccc(-c2cnc(OC)c(-c3cnc(-n4ccnc4)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1.COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C35H28F6N6O5.C34H26F6N6O5/c1-18-9-20(31(48)51-4)5-6-25(18)22-12-26(30(50-3)43-14-22)27-15-44-32(46-8-7-42-17-46)45-28(27)16-47-19(2)29(52-33(47)49)21-10-23(34(36,37)38)13-24(11-21)35(39,40)41;1-17-8-19(30(47)48)4-5-24(17)21-11-25(29(50-3)42-13-21)26-14-43-31(45-7-6-41-16-45)44-27(26)15-46-18(2)28(51-32(46)49)20-9-22(33(35,36)37)12-23(10-20)34(38,39)40/h5-15,17,19,29H,16H2,1-4H3;4-14,16,18,28H,15H2,1-3H3,(H,47,48)/t19-,29-;18-,28-/m00/s1
• InChIKey: UHENIGMEBSARHI-GOLSWSLGSA-N
• XLogP: 15.14
• TPSA: 254.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.24
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?

The IUPAC name of 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate (CID 118021434) is 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate.

What is the SMILES notation for 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?

The canonical SMILES for 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate is COC(=O)c1ccc(-c2cnc(OC)c(-c3cnc(-n4ccnc4)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1.COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.

What is the InChIKey of 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?

The InChIKey is UHENIGMEBSARHI-GOLSWSLGSA-N. The full InChI is InChI=1S/C35H28F6N6O5.C34H26F6N6O5/c1-18-9-20(31(48)51-4)5-6-25(18)22-12-26(30(50-3)43-14-22)27-15-44-32(46-8-7-42-17-46)45-28(27)16-47-19(2)29(52-33(47)49)21-10-23(34(36,37)38)13-24(11-21)35(39,40)41;1-17-8-19(30(47)48)4-5-24(17)21-11-25(29(50-3)42-13-21)26-14-43-31(45-7-6-41-16-45)44-27(26)15-46-18(2)28(51-32(46)49)20-9-22(33(35,36)37)12-23(10-20)34(38,39)40/h5-15,17,19,29H,16H2,1-4H3;4-14,16,18,28H,15H2,1-3H3,(H,47,48)/t19-,29-;18-,28-/m00/s1.

What are the key properties of 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate?

4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate has a molecular weight of 1439.24 g/mol, XLogP of 15.14, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoic acid;methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-6-methoxy-3-pyridinyl]-3-methylbenzoate is sourced from PubChem (CID 118021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).