7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C25H20F6N4O4 — CID 145203063

About 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 145203063) has the molecular formula C25H20F6N4O4 and a molecular weight of 554.45 g/mol. Its IUPAC name is 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 145203063
• Molecular Formula: C25H20F6N4O4
• Molecular Weight: 554.45 g/mol
• Exact Mass: 554.14
• IUPAC Name: 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(C)[C@@H](NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(=O)CC3=O)ccc2c1=O)C(F)(F)F
• InChI: InChI=1S/C25H20F6N4O4/c1-24(2,3)23(25(29,30)31)33-22(39)14-10-35(19-15(27)6-11(26)7-16(19)28)21-13(20(14)38)4-5-17(32-21)34-9-12(36)8-18(34)37/h4-7,10,23H,8-9H2,1-3H3,(H,33,39)/t23-/m1/s1
• InChIKey: NFIXYKVGTDUYSI-HSZRJFAPSA-N
• XLogP: 3.82
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.45
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 145203063) is 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(C)(C)[C@@H](NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(=O)CC3=O)ccc2c1=O)C(F)(F)F.

What is the InChIKey of 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is NFIXYKVGTDUYSI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H20F6N4O4/c1-24(2,3)23(25(29,30)31)33-22(39)14-10-35(19-15(27)6-11(26)7-16(19)28)21-13(20(14)38)4-5-17(32-21)34-9-12(36)8-18(34)37/h4-7,10,23H,8-9H2,1-3H3,(H,33,39)/t23-/m1/s1.

What are the key properties of 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 554.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,4-dioxopyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 145203063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).