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

C26H23F9N4O4 — CID 175386185

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

7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 175386185) has the molecular formula C26H23F9N4O4 and a molecular weight of 626.48 g/mol. Its IUPAC name is 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 175386185
• Molecular Formula: C26H23F9N4O4
• Molecular Weight: 626.48 g/mol
• Exact Mass: 626.16
• IUPAC Name: 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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(N3CCC(CO)(CO)CC3)c(F)cc2c1=O
• InChI: InChI=1S/C26H23F9N4O4/c27-11-5-14(28)19(15(29)6-11)39-8-13(25(43)36-18(22(34)35)17(31)21(32)33)20(42)12-7-16(30)24(37-23(12)39)38-3-1-26(9-40,10-41)2-4-38/h5-8,17-18,21-22,40-41H,1-4,9-10H2,(H,36,43)
• InChIKey: UOCKURSWSSXXPF-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-4-oxo-N-(1,1,3,4,4-pentafluorobutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 175386185) is 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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(N3CCC(CO)(CO)CC3)c(F)cc2c1=O.

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

The InChIKey is UOCKURSWSSXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F9N4O4/c27-11-5-14(28)19(15(29)6-11)39-8-13(25(43)36-18(22(34)35)17(31)21(32)33)20(42)12-7-16(30)24(37-23(12)39)38-3-1-26(9-40,10-41)2-4-38/h5-8,17-18,21-22,40-41H,1-4,9-10H2,(H,36,43).

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

7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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 626.48 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-fluoro-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 175386185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).