methyl 4-[6-fluoro-2-[(4S)-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]butanoate

C31H36F2N4O8Si — CID 58053976

About methyl 4-[6-fluoro-2-[(4S)-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]butanoate

methyl 4-[6-fluoro-2-[(4S)-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]butanoate (PubChem CID 58053976) has the molecular formula C31H36F2N4O8Si and a molecular weight of 658.73 g/mol. Its IUPAC name is methyl 4-[6-fluoro-2-[(4S)-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]butanoate.

Molecular Properties

• Compound Name: methyl 4-[6-fluoro-2-[(4S)-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]butanoate
• PubChem CID: 58053976
• Molecular Formula: C31H36F2N4O8Si
• Molecular Weight: 658.73 g/mol
• Exact Mass: 658.23
• IUPAC Name: methyl 4-[6-fluoro-2-[(4S)-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]butanoate
• SMILES: COC(=O)CCCc1nc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)oc2cc1F
• InChI: InChI=1S/C31H36F2N4O8Si/c1-42-22-10-9-18-15-36(28(39)26(18)27(22)33)16-31(29(40)37(30(41)35-31)17-44-11-12-46(3,4)5)24-14-21-23(45-24)13-19(32)20(34-21)7-6-8-25(38)43-2/h9-10,13-14H,6-8,11-12,15-17H2,1-5H3,(H,35,41)/t31-/m0/s1
• InChIKey: LWAMNTRVIAXAHU-HKBQPEDESA-N
• XLogP: 4.33
• TPSA: 140.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.73
LogP ≤ 5	4.33
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 methyl 4-[6-fluoro-2-[(4S)-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]butanoate?

The IUPAC name of methyl 4-[6-fluoro-2-[(4S)-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]butanoate (CID 58053976) is methyl 4-[6-fluoro-2-[(4S)-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]butanoate.

What is the SMILES notation for methyl 4-[6-fluoro-2-[(4S)-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]butanoate?

The canonical SMILES for methyl 4-[6-fluoro-2-[(4S)-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]butanoate is COC(=O)CCCc1nc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)N(COCC[Si](C)(C)C)C3=O)oc2cc1F.

What is the InChIKey of methyl 4-[6-fluoro-2-[(4S)-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]butanoate?

The InChIKey is LWAMNTRVIAXAHU-HKBQPEDESA-N. The full InChI is InChI=1S/C31H36F2N4O8Si/c1-42-22-10-9-18-15-36(28(39)26(18)27(22)33)16-31(29(40)37(30(41)35-31)17-44-11-12-46(3,4)5)24-14-21-23(45-24)13-19(32)20(34-21)7-6-8-25(38)43-2/h9-10,13-14H,6-8,11-12,15-17H2,1-5H3,(H,35,41)/t31-/m0/s1.

What are the key properties of methyl 4-[6-fluoro-2-[(4S)-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]butanoate?

methyl 4-[6-fluoro-2-[(4S)-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]butanoate has a molecular weight of 658.73 g/mol, XLogP of 4.33, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[6-fluoro-2-[(4S)-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]butanoate is sourced from PubChem (CID 58053976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).