7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C23H19F8N5O3 — CID 155051436

About 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 155051436) has the molecular formula C23H19F8N5O3 and a molecular weight of 565.42 g/mol. Its IUPAC name is 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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: 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155051436
• Molecular Formula: C23H19F8N5O3
• Molecular Weight: 565.42 g/mol
• Exact Mass: 565.14
• IUPAC Name: 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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(N3C[C@@H](C)NC3O)ccc2c1=O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H19F8N5O3/c1-9-7-35(21(39)32-9)16-4-3-12-18(37)13(20(38)33-10(2)22(27,28)23(29,30)31)8-36(19(12)34-16)17-14(25)5-11(24)6-15(17)26/h3-6,8-10,21,32,39H,7H2,1-2H3,(H,33,38)/t9-,10?,21?/m1/s1
• InChIKey: NQVDKZOPARFWRY-BWRUEQQXSA-N
• XLogP: 3.19
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.42
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
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 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 155051436) is 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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(N3C[C@@H](C)NC3O)ccc2c1=O)C(F)(F)C(F)(F)F.

What is the InChIKey of 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 NQVDKZOPARFWRY-BWRUEQQXSA-N. The full InChI is InChI=1S/C23H19F8N5O3/c1-9-7-35(21(39)32-9)16-4-3-12-18(37)13(20(38)33-10(2)22(27,28)23(29,30)31)8-36(19(12)34-16)17-14(25)5-11(24)6-15(17)26/h3-6,8-10,21,32,39H,7H2,1-2H3,(H,33,38)/t9-,10?,21?/m1/s1.

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

7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 565.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4R)-2-hydroxy-4-methylimidazolidin-1-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 155051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).