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

C26H28F4N4O4 — CID 134360176

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

7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134360176) has the molecular formula C26H28F4N4O4 and a molecular weight of 536.53 g/mol. Its IUPAC name is 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134360176
• Molecular Formula: C26H28F4N4O4
• Molecular Weight: 536.53 g/mol
• Exact Mass: 536.20
• IUPAC Name: 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(C)C(C)(C)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O
• InChI: InChI=1S/C26H28F4N4O4/c1-25(2,3)26(4,5)32-24(38)14-9-34(20-15(28)6-12(27)7-16(20)29)22-13(21(14)37)8-17(30)23(31-22)33-10-18(35)19(36)11-33/h6-9,18-19,35-36H,10-11H2,1-5H3,(H,32,38)/t18-,19-/m1/s1
• InChIKey: QLTAESPDNJENFW-RTBURBONSA-N
• XLogP: 3.04
• TPSA: 107.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 134360176) is 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(C)(C)C(C)(C)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O.

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

The InChIKey is QLTAESPDNJENFW-RTBURBONSA-N. The full InChI is InChI=1S/C26H28F4N4O4/c1-25(2,3)26(4,5)32-24(38)14-9-34(20-15(28)6-12(27)7-16(20)29)22-13(21(14)37)8-17(30)23(31-22)33-10-18(35)19(36)11-33/h6-9,18-19,35-36H,10-11H2,1-5H3,(H,32,38)/t18-,19-/m1/s1.

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

7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 536.53 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134360176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).