N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C26H28F4N4O3 — CID 134346798

About N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134346798) has the molecular formula C26H28F4N4O3 and a molecular weight of 520.53 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 134346798
• Molecular Formula: C26H28F4N4O3
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.21
• IUPAC Name: N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)C(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC[C@H](O)C3)c(F)cc2c1=O)C(C)C
• InChI: InChI=1S/C26H28F4N4O3/c1-12(2)21(13(3)4)31-26(37)17-11-34(22-18(28)7-14(27)8-19(22)29)24-16(23(17)36)9-20(30)25(32-24)33-6-5-15(35)10-33/h7-9,11-13,15,21,35H,5-6,10H2,1-4H3,(H,31,37)/t15-/m0/s1
• InChIKey: YKQRZVMLYVLJJZ-HNNXBMFYSA-N
• XLogP: 3.92
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 134346798) is N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

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

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

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

The InChIKey is YKQRZVMLYVLJJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H28F4N4O3/c1-12(2)21(13(3)4)31-26(37)17-11-34(22-18(28)7-14(27)8-19(22)29)24-16(23(17)36)9-20(30)25(32-24)33-6-5-15(35)10-33/h7-9,11-13,15,21,35H,5-6,10H2,1-4H3,(H,31,37)/t15-/m0/s1.

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

N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 520.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylpentan-3-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134346798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).