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

C69H81BBrCl3N8O9Si2 — CID 160534245

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

2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 160534245) has the molecular formula C69H81BBrCl3N8O9Si2 and a molecular weight of 1419.70 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-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 160534245
• Molecular Formula: C69H81BBrCl3N8O9Si2
• Molecular Weight: 1419.70 g/mol
• Exact Mass: 1416.40
• IUPAC Name: 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(Cl)c12
• InChI: InChI=1S/C26H36BClN2O4Si.C23H21ClN4O3.C20H24BrClN2O2Si/c1-25(2)26(3,4)34-27(33-25)20-15-29-24-22(23(20)28)19(18-11-9-10-12-21(18)31-5)16-30(24)17-32-13-14-35(6,7)8;1-28(2)23(30)21(29)14-8-13(9-25-10-14)16-11-26-22-19(20(16)24)17(12-27-22)15-6-4-5-7-18(15)31-3;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/h9-12,15-16H,13-14,17H2,1-8H3;4-12,21,29H,1-3H3,(H,26,27);5-8,11-12H,9-10,13H2,1-4H3
• InChIKey: QVYDPOMJLWSZGT-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 182.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.70
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 160534245) is 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

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

The canonical SMILES for 2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)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-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is QVYDPOMJLWSZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36BClN2O4Si.C23H21ClN4O3.C20H24BrClN2O2Si/c1-25(2)26(3,4)34-27(33-25)20-15-29-24-22(23(20)28)19(18-11-9-10-12-21(18)31-5)16-30(24)17-32-13-14-35(6,7)8;1-28(2)23(30)21(29)14-8-13(9-25-10-14)16-11-26-22-19(20(16)24)17(12-27-22)15-6-4-5-7-18(15)31-3;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/h9-12,15-16H,13-14,17H2,1-8H3;4-12,21,29H,1-3H3,(H,26,27);5-8,11-12H,9-10,13H2,1-4H3.

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

2-[[5-bromo-4-chloro-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[5-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1419.70 g/mol, XLogP of 16.49, 20 rotatable bonds, 2 hydrogen bond donors, and 15 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-[4-chloro-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-[[4-chloro-3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 160534245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).