2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane

C₈₉H₁₁₃Br₂Cl₃N₁₂O₁₁Si₃ — CID 159938195

About 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane

2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane (PubChem CID 159938195) has the molecular formula C₈₉H₁₁₃Br₂Cl₃N₁₂O₁₁Si₃ and a molecular weight of 1877.38 g/mol. Its IUPAC name is 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane.

Molecular Properties

• Compound Name: 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane
• PubChem CID: 159938195
• Molecular Formula: C₈₉H₁₁₃Br₂Cl₃N₁₂O₁₁Si₃
• Molecular Weight: 1877.38 g/mol
• Exact Mass: 1872.54
• IUPAC Name: 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane
• SMILES: C.C.CN(C)C(=O)C(O)c1cncc(Br)c1.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(CC(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12
• InChI: InChI=1S/C29H35ClN4O4Si.C29H35ClN4O3Si.C20H24BrClN2O2Si.C9H11BrN2O2.2CH4/c1-33(2)29(36)27(35)20-13-19(14-31-15-20)22-16-32-28-25(26(22)30)23(21-9-7-8-10-24(21)37-3)17-34(28)18-38-11-12-39(4,5)6;1-33(2)26(35)14-20-13-21(16-31-15-20)23-17-32-29-27(28(23)30)24(22-9-7-8-10-25(22)36-3)18-34(29)19-37-11-12-38(4,5)6;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;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;;/h7-10,13-17,27,35H,11-12,18H2,1-6H3;7-10,13,15-18H,11-12,14,19H2,1-6H3;5-8,11-12H,9-10,13H2,1-4H3;3-5,8,13H,1-2H3;2*1H4
• InChIKey: OANMLOWFVPGFAP-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 248.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.38
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane?

The IUPAC name of 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane (CID 159938195) is 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane.

What is the SMILES notation for 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane?

The canonical SMILES for 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane is C.C.CN(C)C(=O)C(O)c1cncc(Br)c1.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(CC(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12.

What is the InChIKey of 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane?

The InChIKey is OANMLOWFVPGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O4Si.C29H35ClN4O3Si.C20H24BrClN2O2Si.C9H11BrN2O2.2CH4/c1-33(2)29(36)27(35)20-13-19(14-31-15-20)22-16-32-28-25(26(22)30)23(21-9-7-8-10-24(21)37-3)17-34(28)18-38-11-12-39(4,5)6;1-33(2)26(35)14-20-13-21(16-31-15-20)23-17-32-29-27(28(23)30)24(22-9-7-8-10-25(22)36-3)18-34(29)19-37-11-12-38(4,5)6;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;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;;/h7-10,13-17,27,35H,11-12,18H2,1-6H3;7-10,13,15-18H,11-12,14,19H2,1-6H3;5-8,11-12H,9-10,13H2,1-4H3;3-5,8,13H,1-2H3;2*1H4.

What are the key properties of 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane?

2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane has a molecular weight of 1877.38 g/mol, XLogP of 20.91, 29 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[4-chloro-3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;methane is sourced from PubChem (CID 159938195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159938195 — identifiers, structure, computed properties (public domain)

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