7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C27H25F9N4O4 — CID 175348772

About 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 175348772) has the molecular formula C27H25F9N4O4 and a molecular weight of 640.50 g/mol. Its IUPAC name is 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 175348772
• Molecular Formula: C27H25F9N4O4
• Molecular Weight: 640.50 g/mol
• Exact Mass: 640.17
• IUPAC Name: 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(C(F)F)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(CO)(CO)C3)c(F)cc2c1=O)C(F)C(F)F
• InChI: InChI=1S/C27H25F9N4O4/c1-26(2,25(35)36)20(17(32)21(33)34)37-24(44)13-6-40(18-14(29)3-11(28)4-15(18)30)22-12(19(13)43)5-16(31)23(38-22)39-7-27(8-39,9-41)10-42/h3-6,17,20-21,25,41-42H,7-10H2,1-2H3,(H,37,44)
• InChIKey: INOKZXSJLWCCJU-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 175348772) is 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CC(C)(C(F)F)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(CO)(CO)C3)c(F)cc2c1=O)C(F)C(F)F.

What is the InChIKey of 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is INOKZXSJLWCCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F9N4O4/c1-26(2,25(35)36)20(17(32)21(33)34)37-24(44)13-6-40(18-14(29)3-11(28)4-15(18)30)22-12(19(13)43)5-16(31)23(38-22)39-7-27(8-39,9-41)10-42/h3-6,17,20-21,25,41-42H,7-10H2,1-2H3,(H,37,44).

What are the key properties of 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 640.50 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3,3-bis(hydroxymethyl)azetidin-1-yl]-6-fluoro-4-oxo-N-(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175348772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).