6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C23H17F9N4O3 — CID 134348717

About 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134348717) has the molecular formula C23H17F9N4O3 and a molecular weight of 568.40 g/mol. Its IUPAC name is 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134348717
• Molecular Formula: C23H17F9N4O3
• Molecular Weight: 568.40 g/mol
• Exact Mass: 568.12
• IUPAC Name: 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCOCC3)c(F)cc2c1=O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H17F9N4O3/c1-10(22(28,29)23(30,31)32)33-21(38)13-9-36(17-14(25)6-11(24)7-15(17)26)19-12(18(13)37)8-16(27)20(34-19)35-2-4-39-5-3-35/h6-10H,2-5H2,1H3,(H,33,38)
• InChIKey: CQYQXCFVZPOLCT-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.40
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 134348717) is 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCOCC3)c(F)cc2c1=O)C(F)(F)C(F)(F)F.

What is the InChIKey of 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is CQYQXCFVZPOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F9N4O3/c1-10(22(28,29)23(30,31)32)33-21(38)13-9-36(17-14(25)6-11(24)7-15(17)26)19-12(18(13)37)8-16(27)20(34-19)35-2-4-39-5-3-35/h6-10H,2-5H2,1H3,(H,33,38).

What are the key properties of 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 568.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-morpholin-4-yl-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134348717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).