2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone

C61H77BBr2N10O9Si2 — CID 160639908

About 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone

2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 160639908) has the molecular formula C61H77BBr2N10O9Si2 and a molecular weight of 1321.14 g/mol. Its IUPAC name is 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
• PubChem CID: 160639908
• Molecular Formula: C61H77BBr2N10O9Si2
• Molecular Weight: 1321.14 g/mol
• Exact Mass: 1318.39
• IUPAC Name: 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
• SMILES: Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.CC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C24H32N4O4Si.C21H33BN2O4Si.C9H7BrN2O.C7H5BrN2/c1-16(29)21-14-28(15-32-7-8-33(4,5)6)23-20(21)10-18(13-26-23)17-9-19(12-25-11-17)22(30)24(31)27(2)3;1-15(25)18-13-24(14-26-9-10-29(6,7)8)19-17(18)11-16(12-23-19)22-27-20(2,3)21(4,5)28-22;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6/h9-14,22,30H,7-8,15H2,1-6H3;11-13H,9-10,14H2,1-8H3;2-4H,1H3,(H,11,12);1-4H,(H,9,10)
• InChIKey: RJAQQOKAYPVDHY-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 234.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1321.14
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone?

The IUPAC name of 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 160639908) is 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone.

What is the SMILES notation for 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone?

The canonical SMILES for 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone is Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.CC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone?

The InChIKey is RJAQQOKAYPVDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4Si.C21H33BN2O4Si.C9H7BrN2O.C7H5BrN2/c1-16(29)21-14-28(15-32-7-8-33(4,5)6)23-20(21)10-18(13-26-23)17-9-19(12-25-11-17)22(30)24(31)27(2)3;1-15(25)18-13-24(14-26-9-10-29(6,7)8)19-17(18)11-16(12-23-19)22-27-20(2,3)21(4,5)28-22;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6/h9-14,22,30H,7-8,15H2,1-6H3;11-13H,9-10,14H2,1-8H3;2-4H,1H3,(H,11,12);1-4H,(H,9,10).

What are the key properties of 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone?

2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 1321.14 g/mol, XLogP of 12.44, 17 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-acetyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 160639908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).