ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate

C32H43F3N2O4Si — CID 58334679

About ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate

ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate (PubChem CID 58334679) has the molecular formula C32H43F3N2O4Si and a molecular weight of 604.79 g/mol. Its IUPAC name is ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate
• PubChem CID: 58334679
• Molecular Formula: C32H43F3N2O4Si
• Molecular Weight: 604.79 g/mol
• Exact Mass: 604.29
• IUPAC Name: ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C)c2nc(C)c(CCc3c(F)cc(F)cc3F)cc2c1=O
• InChI: InChI=1S/C32H43F3N2O4Si/c1-11-40-30(39)24-17-37(27(31(3,4)5)18-41-42(9,10)32(6,7)8)29-23(28(24)38)14-20(19(2)36-29)12-13-22-25(34)15-21(33)16-26(22)35/h14-17,27H,11-13,18H2,1-10H3/t27-/m1/s1
• InChIKey: BZEMHMABHROMCP-HHHXNRCGSA-N
• XLogP: 7.69
• TPSA: 70.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.79
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate (CID 58334679) is ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn([C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C)c2nc(C)c(CCc3c(F)cc(F)cc3F)cc2c1=O.

What is the InChIKey of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate?

The InChIKey is BZEMHMABHROMCP-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H43F3N2O4Si/c1-11-40-30(39)24-17-37(27(31(3,4)5)18-41-42(9,10)32(6,7)8)29-23(28(24)38)14-20(19(2)36-29)12-13-22-25(34)15-21(33)16-26(22)35/h14-17,27H,11-13,18H2,1-10H3/t27-/m1/s1.

What are the key properties of ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate?

ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 604.79 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-7-methyl-4-oxo-6-[2-(2,4,6-trifluorophenyl)ethyl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 58334679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).