tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate

C32H41F2N5O6Si — CID 175867944

About tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate

tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate (PubChem CID 175867944) has the molecular formula C32H41F2N5O6Si and a molecular weight of 657.79 g/mol. Its IUPAC name is tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate
• PubChem CID: 175867944
• Molecular Formula: C32H41F2N5O6Si
• Molecular Weight: 657.79 g/mol
• Exact Mass: 657.28
• IUPAC Name: tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate
• SMILES: COc1cc(F)cc2c1[C@@]1(CCN(C)C1=O)N(Cc1cc3nc(NC(=O)OC(C)(C)C)c(F)cc3n1COCC[Si](C)(C)C)C2=O
• InChI: InChI=1S/C32H41F2N5O6Si/c1-31(2,3)45-30(42)36-27-22(34)16-24-23(35-27)15-20(38(24)18-44-11-12-46(6,7)8)17-39-28(40)21-13-19(33)14-25(43-5)26(21)32(39)9-10-37(4)29(32)41/h13-16H,9-12,17-18H2,1-8H3,(H,35,36,42)/t32-/m1/s1
• InChIKey: XCEBEPHPBJXXPX-JGCGQSQUSA-N
• XLogP: 5.70
• TPSA: 115.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.79
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate?

The IUPAC name of tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate (CID 175867944) is tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate.

What is the SMILES notation for tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate?

The canonical SMILES for tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate is COc1cc(F)cc2c1[C@@]1(CCN(C)C1=O)N(Cc1cc3nc(NC(=O)OC(C)(C)C)c(F)cc3n1COCC[Si](C)(C)C)C2=O.

What is the InChIKey of tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate?

The InChIKey is XCEBEPHPBJXXPX-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H41F2N5O6Si/c1-31(2,3)45-30(42)36-27-22(34)16-24-23(35-27)15-20(38(24)18-44-11-12-46(6,7)8)17-39-28(40)21-13-19(33)14-25(43-5)26(21)32(39)9-10-37(4)29(32)41/h13-16H,9-12,17-18H2,1-8H3,(H,35,36,42)/t32-/m1/s1.

What are the key properties of tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate?

tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate has a molecular weight of 657.79 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-fluoro-2-[[(1R)-5-fluoro-7-methoxy-1'-methyl-2',3-dioxospiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 175867944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).