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

C25H21F9N4O3 — CID 175348780

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

6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 175348780) has the molecular formula C25H21F9N4O3 and a molecular weight of 596.45 g/mol. Its IUPAC name is 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 175348780
• Molecular Formula: C25H21F9N4O3
• Molecular Weight: 596.45 g/mol
• Exact Mass: 596.15
• IUPAC Name: 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(C(F)F)C(F)C(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCCC[C@@H]3CO)c(F)cc2c1=O
• InChI: InChI=1S/C25H21F9N4O3/c26-10-5-14(27)19(15(28)6-10)38-8-13(25(41)35-18(22(33)34)17(30)21(31)32)20(40)12-7-16(29)24(36-23(12)38)37-4-2-1-3-11(37)9-39/h5-8,11,17-18,21-22,39H,1-4,9H2,(H,35,41)/t11-,17?,18?/m1/s1
• InChIKey: IANYRIDECSJBSE-IPPDQLOFSA-N
• XLogP: 4.26
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.45
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 175348780) is 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is O=C(NC(C(F)F)C(F)C(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCCC[C@@H]3CO)c(F)cc2c1=O.

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

The InChIKey is IANYRIDECSJBSE-IPPDQLOFSA-N. The full InChI is InChI=1S/C25H21F9N4O3/c26-10-5-14(27)19(15(28)6-10)38-8-13(25(41)35-18(22(33)34)17(30)21(31)32)20(40)12-7-16(29)24(36-23(12)38)37-4-2-1-3-11(37)9-39/h5-8,11,17-18,21-22,39H,1-4,9H2,(H,35,41)/t11-,17?,18?/m1/s1.

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

6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 596.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175348780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).