1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide

C23H19F5N4O3 — CID 135354925

About 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide

1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354925) has the molecular formula C23H19F5N4O3 and a molecular weight of 494.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135354925
• Molecular Formula: C23H19F5N4O3
• Molecular Weight: 494.42 g/mol
• Exact Mass: 494.14
• IUPAC Name: 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(N3CC4CC4(O)C3)ccc2c1=O)C(F)(F)F
• InChI: InChI=1S/C23H19F5N4O3/c1-11(23(26,27)28)29-21(34)14-9-32(18-15(24)3-2-4-16(18)25)20-13(19(14)33)5-6-17(30-20)31-8-12-7-22(12,35)10-31/h2-6,9,11-12,35H,7-8,10H2,1H3,(H,29,34)
• InChIKey: HDQBAWBFRTWTFN-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.42
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 135354925) is 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cn(-c2c(F)cccc2F)c2nc(N3CC4CC4(O)C3)ccc2c1=O)C(F)(F)F.

What is the InChIKey of 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is HDQBAWBFRTWTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N4O3/c1-11(23(26,27)28)29-21(34)14-9-32(18-15(24)3-2-4-16(18)25)20-13(19(14)33)5-6-17(30-20)31-8-12-7-22(12,35)10-31/h2-6,9,11-12,35H,7-8,10H2,1H3,(H,29,34).

What are the key properties of 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide?

1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 494.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-7-(1-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)-4-oxo-N-(1,1,1-trifluoropropan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).