[6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid

C29H31F2N5O5Si — CID 174143969

About [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid

[6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid (PubChem CID 174143969) has the molecular formula C29H31F2N5O5Si and a molecular weight of 595.68 g/mol. Its IUPAC name is [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid.

Molecular Properties

• Compound Name: [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid
• PubChem CID: 174143969
• Molecular Formula: C29H31F2N5O5Si
• Molecular Weight: 595.68 g/mol
• Exact Mass: 595.21
• IUPAC Name: [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid
• SMILES: C#CCN1CC[C@@]2(C1=O)c1ccc(F)cc1C(=O)N2Cc1cc2nc(NC(=O)O)c(F)cc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C29H31F2N5O5Si/c1-5-9-34-10-8-29(27(34)38)21-7-6-18(30)13-20(21)26(37)36(29)16-19-14-23-24(15-22(31)25(32-23)33-28(39)40)35(19)17-41-11-12-42(2,3)4/h1,6-7,13-15H,8-12,16-17H2,2-4H3,(H,32,33)(H,39,40)/t29-/m0/s1
• InChIKey: KPPRVKZPCZWJEV-LJAQVGFWSA-N
• XLogP: 4.43
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.68
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid?

The IUPAC name of [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid (CID 174143969) is [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid.

What is the SMILES notation for [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid?

The canonical SMILES for [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid is C#CCN1CC[C@@]2(C1=O)c1ccc(F)cc1C(=O)N2Cc1cc2nc(NC(=O)O)c(F)cc2n1COCC[Si](C)(C)C.

What is the InChIKey of [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid?

The InChIKey is KPPRVKZPCZWJEV-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H31F2N5O5Si/c1-5-9-34-10-8-29(27(34)38)21-7-6-18(30)13-20(21)26(37)36(29)16-19-14-23-24(15-22(31)25(32-23)33-28(39)40)35(19)17-41-11-12-42(2,3)4/h1,6-7,13-15H,8-12,16-17H2,2-4H3,(H,32,33)(H,39,40)/t29-/m0/s1.

What are the key properties of [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid?

[6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid has a molecular weight of 595.68 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-fluoro-2-[[(1S)-5-fluoro-2',3-dioxo-1'-prop-2-ynylspiro[isoindole-1,3'-pyrrolidine]-2-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]carbamic acid is sourced from PubChem (CID 174143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).