1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide

C24H20F5N5O4 — CID 134181905

About 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide

1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 134181905) has the molecular formula C24H20F5N5O4 and a molecular weight of 537.45 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134181905
• Molecular Formula: C24H20F5N5O4
• Molecular Weight: 537.45 g/mol
• Exact Mass: 537.14
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC1(C(F)(F)F)CCCC1)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O
• InChI: InChI=1S/C24H20F5N5O4/c25-12-7-16(26)21(30-9-12)34-11-15(22(38)32-23(24(27,28)29)5-1-2-6-23)19(37)14-3-4-17(31-20(14)34)33-10-13(35)8-18(33)36/h3-4,7,9,11,13,35H,1-2,5-6,8,10H2,(H,32,38)/t13-/m0/s1
• InChIKey: GXNDQPSKRKPJLZ-ZDUSSCGKSA-N
• XLogP: 2.76
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.45
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide (CID 134181905) is 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide is O=C(NC1(C(F)(F)F)CCCC1)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O.

What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide?

The InChIKey is GXNDQPSKRKPJLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20F5N5O4/c25-12-7-16(26)21(30-9-12)34-11-15(22(38)32-23(24(27,28)29)5-1-2-6-23)19(37)14-3-4-17(31-20(14)34)33-10-13(35)8-18(33)36/h3-4,7,9,11,13,35H,1-2,5-6,8,10H2,(H,32,38)/t13-/m0/s1.

What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide?

1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 537.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-[1-(trifluoromethyl)cyclopentyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).