1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide

C24H22F6N4O2 — CID 155051253

About 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide

1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 155051253) has the molecular formula C24H22F6N4O2 and a molecular weight of 512.45 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155051253
• Molecular Formula: C24H22F6N4O2
• Molecular Weight: 512.45 g/mol
• Exact Mass: 512.16
• IUPAC Name: 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide
• SMILES: CC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CC(F)CC3C)ccc2c1=O)C(F)(F)F
• InChI: InChI=1S/C24H22F6N4O2/c1-3-19(24(28,29)30)31-23(36)16-11-34(18-6-4-13(25)9-17(18)27)22-15(21(16)35)5-7-20(32-22)33-10-14(26)8-12(33)2/h4-7,9,11-12,14,19H,3,8,10H2,1-2H3,(H,31,36)/t12?,14?,19-/m1/s1
• InChIKey: GLNJZUQEPAWLDW-JWIMFUQQSA-N
• XLogP: 4.67
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.45
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide (CID 155051253) is 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide is CC[C@@H](NC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CC(F)CC3C)ccc2c1=O)C(F)(F)F.

What is the InChIKey of 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is GLNJZUQEPAWLDW-JWIMFUQQSA-N. The full InChI is InChI=1S/C24H22F6N4O2/c1-3-19(24(28,29)30)31-23(36)16-11-34(18-6-4-13(25)9-17(18)27)22-15(21(16)35)5-7-20(32-22)33-10-14(26)8-12(33)2/h4-7,9,11-12,14,19H,3,8,10H2,1-2H3,(H,31,36)/t12?,14?,19-/m1/s1.

What are the key properties of 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide?

1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 512.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-7-(4-fluoro-2-methylpyrrolidin-1-yl)-4-oxo-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155051253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).