2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

C₄₀H₅₀Br₂N₈O₄Si₂ — CID 160559051

About 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 160559051) has the molecular formula C₄₀H₅₀Br₂N₈O₄Si₂ and a molecular weight of 922.87 g/mol. Its IUPAC name is 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
• PubChem CID: 160559051
• Molecular Formula: C₄₀H₅₀Br₂N₈O₄Si₂
• Molecular Weight: 922.87 g/mol
• Exact Mass: 920.19
• IUPAC Name: 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
• SMILES: COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(N)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(N=[N+]=[N-])c12
• InChI: InChI=1S/C20H24BrN5O2Si.C20H26BrN3O2Si/c1-27-17-8-6-5-7-14(17)15-12-26(13-28-9-10-29(2,3)4)20-18(15)19(24-25-22)16(21)11-23-20;1-25-17-8-6-5-7-14(17)15-12-24(13-26-9-10-27(2,3)4)20-18(15)19(22)16(21)11-23-20/h5-8,11-12H,9-10,13H2,1-4H3;5-8,11-12H,9-10,13H2,1-4H3,(H2,22,23)
• InChIKey: QZBKOOPQXFRXPE-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 147.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.87
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?

The IUPAC name of 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 160559051) is 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?

The canonical SMILES for 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(N)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(N=[N+]=[N-])c12.

What is the InChIKey of 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?

The InChIKey is QZBKOOPQXFRXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2Si.C20H26BrN3O2Si/c1-27-17-8-6-5-7-14(17)15-12-26(13-28-9-10-29(2,3)4)20-18(15)19(24-25-22)16(21)11-23-20;1-25-17-8-6-5-7-14(17)15-12-24(13-26-9-10-27(2,3)4)20-18(15)19(22)16(21)11-23-20/h5-8,11-12H,9-10,13H2,1-4H3;5-8,11-12H,9-10,13H2,1-4H3,(H2,22,23).

What are the key properties of 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?

2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 922.87 g/mol, XLogP of 12.10, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-azido-5-bromo-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 160559051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160559051 — identifiers, structure, computed properties (public domain)

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