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

C23H18F7N5O4 — CID 134181761

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

1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134181761) has the molecular formula C23H18F7N5O4 and a molecular weight of 561.41 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-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-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134181761
• Molecular Formula: C23H18F7N5O4
• Molecular Weight: 561.41 g/mol
• Exact Mass: 561.12
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CCC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H18F7N5O4/c1-2-15(22(26,27)23(28,29)30)32-21(39)13-9-35(20-14(25)5-10(24)7-31-20)19-12(18(13)38)3-4-16(33-19)34-8-11(36)6-17(34)37/h3-5,7,9,11,15,36H,2,6,8H2,1H3,(H,32,39)/t11-,15?/m0/s1
• InChIKey: GFELXPLCKHGNAR-VPHXOMNUSA-N
• XLogP: 2.86
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.41
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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-(1,1,1,2,2-pentafluoropentan-3-yl)-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-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide (CID 134181761) is 1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-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-(1,1,1,2,2-pentafluoropentan-3-yl)-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-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide is CCC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O)C(F)(F)C(F)(F)F.

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

The InChIKey is GFELXPLCKHGNAR-VPHXOMNUSA-N. The full InChI is InChI=1S/C23H18F7N5O4/c1-2-15(22(26,27)23(28,29)30)32-21(39)13-9-35(20-14(25)5-10(24)7-31-20)19-12(18(13)38)3-4-16(33-19)34-8-11(36)6-17(34)37/h3-5,7,9,11,15,36H,2,6,8H2,1H3,(H,32,39)/t11-,15?/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-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide?

1-(3,5-difluoro-2-pyridinyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 561.41 g/mol, XLogP of 2.86, 6 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-(1,1,1,2,2-pentafluoropentan-3-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).