(5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

C25H18F6N4O6 — CID 155224680

About (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid

(5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (PubChem CID 155224680) has the molecular formula C25H18F6N4O6 and a molecular weight of 584.43 g/mol. Its IUPAC name is (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

• Compound Name: (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
• PubChem CID: 155224680
• Molecular Formula: C25H18F6N4O6
• Molecular Weight: 584.43 g/mol
• Exact Mass: 584.11
• IUPAC Name: (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
• SMILES: CC1[C@@H](C(=O)O)OC(=O)N1c1ccc2c(=O)c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cn(-c3c(F)cc(F)cc3F)c2n1
• InChI: InChI=1S/C25H18F6N4O6/c1-9-19(23(38)39)41-24(40)35(9)16-5-4-12-18(36)13(22(37)33-20(10-2-3-10)25(29,30)31)8-34(21(12)32-16)17-14(27)6-11(26)7-15(17)28/h4-10,19-20H,2-3H2,1H3,(H,33,37)(H,38,39)/t9?,19-,20-/m0/s1
• InChIKey: LTOAGDOCUFAPQW-AHDFOUPHSA-N
• XLogP: 3.67
• TPSA: 130.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.43
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?

The IUPAC name of (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid (CID 155224680) is (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid.

What is the SMILES notation for (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?

The canonical SMILES for (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is CC1[C@@H](C(=O)O)OC(=O)N1c1ccc2c(=O)c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cn(-c3c(F)cc(F)cc3F)c2n1.

What is the InChIKey of (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?

The InChIKey is LTOAGDOCUFAPQW-AHDFOUPHSA-N. The full InChI is InChI=1S/C25H18F6N4O6/c1-9-19(23(38)39)41-24(40)35(9)16-5-4-12-18(36)13(22(37)33-20(10-2-3-10)25(29,30)31)8-34(21(12)32-16)17-14(27)6-11(26)7-15(17)28/h4-10,19-20H,2-3H2,1H3,(H,33,37)(H,38,39)/t9?,19-,20-/m0/s1.

What are the key properties of (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid?

(5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 584.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[6-[[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]carbamoyl]-5-oxo-8-(2,4,6-trifluorophenyl)-1,8-naphthyridin-2-yl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 155224680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).