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

C33H27F6N5O5 — CID 56968510

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

5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid (PubChem CID 56968510) has the molecular formula C33H27F6N5O5 and a molecular weight of 687.60 g/mol. Its IUPAC name is 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid
• PubChem CID: 56968510
• Molecular Formula: C33H27F6N5O5
• Molecular Weight: 687.60 g/mol
• Exact Mass: 687.19
• IUPAC Name: 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid
• SMILES: COc1ccc(-c2cnc(C(=O)O)cn2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
• InChI: InChI=1S/C33H27F6N5O5/c1-17-29(19-10-20(32(34,35)36)13-21(11-19)33(37,38)39)49-31(47)44(17)16-26-22(5-7-28(42-26)43-8-3-9-43)23-12-18(4-6-27(23)48-2)24-14-41-25(15-40-24)30(45)46/h4-7,10-15,17,29H,3,8-9,16H2,1-2H3,(H,45,46)/t17-,29-/m0/s1
• InChIKey: RVIDXIHVAACTPD-ADKRDUOOSA-N
• XLogP: 7.24
• TPSA: 117.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.60
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid (CID 56968510) is 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid.

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

The canonical SMILES for 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)cn2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.

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

The InChIKey is RVIDXIHVAACTPD-ADKRDUOOSA-N. The full InChI is InChI=1S/C33H27F6N5O5/c1-17-29(19-10-20(32(34,35)36)13-21(11-19)33(37,38)39)49-31(47)44(17)16-26-22(5-7-28(42-26)43-8-3-9-43)23-12-18(4-6-27(23)48-2)24-14-41-25(15-40-24)30(45)46/h4-7,10-15,17,29H,3,8-9,16H2,1-2H3,(H,45,46)/t17-,29-/m0/s1.

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

5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid has a molecular weight of 687.60 g/mol, XLogP of 7.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 56968510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).