tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C36H43F2N5O8Si — CID 58053635

About tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58053635) has the molecular formula C36H43F2N5O8Si and a molecular weight of 739.85 g/mol. Its IUPAC name is tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 58053635
• Molecular Formula: C36H43F2N5O8Si
• Molecular Weight: 739.85 g/mol
• Exact Mass: 739.28
• IUPAC Name: tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
• InChI: InChI=1S/C36H43F2N5O8Si/c1-35(2,3)51-34(47)41-12-10-21(11-13-41)30-23(37)16-26-24(39-30)17-27(50-26)36(32(45)43(33(46)40-36)20-49-14-15-52(5,6)7)19-42-18-22-8-9-25(48-4)29(38)28(22)31(42)44/h8-10,16-17H,11-15,18-20H2,1-7H3,(H,40,46)
• InChIKey: PVVNUYWKRWRJKL-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 143.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.85
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58053635) is tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.

What is the InChIKey of tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is PVVNUYWKRWRJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43F2N5O8Si/c1-35(2,3)51-34(47)41-12-10-21(11-13-41)30-23(37)16-26-24(39-30)17-27(50-26)36(32(45)43(33(46)40-36)20-49-14-15-52(5,6)7)19-42-18-22-8-9-25(48-4)29(38)28(22)31(42)44/h8-10,16-17H,11-15,18-20H2,1-7H3,(H,40,46).

What are the key properties of tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 739.85 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58053635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).