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

C70H77BrN10O11Si — CID 161313833

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

2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 161313833) has the molecular formula C70H77BrN10O11Si and a molecular weight of 1342.43 g/mol. Its IUPAC name is 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 161313833
• Molecular Formula: C70H77BrN10O11Si
• Molecular Weight: 1342.43 g/mol
• Exact Mass: 1340.47
• IUPAC Name: 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide
• SMILES: C.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)c(OC)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(OC)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(OC)c12
• InChI: InChI=1S/C24H24N4O4.C24H22N4O4.C21H27BrN2O3Si.CH4/c2*1-28(2)24(30)21(29)15-9-14(10-25-11-15)17-12-26-23-20(22(17)32-4)18(13-27-23)16-7-5-6-8-19(16)31-3;1-25-18-9-7-6-8-15(18)16-13-24(14-27-10-11-28(3,4)5)21-19(16)20(26-2)17(22)12-23-21;/h5-13,21,29H,1-4H3,(H,26,27);5-13H,1-4H3,(H,26,27);6-9,12-13H,10-11,14H2,1-5H3;1H4
• InChIKey: VJFWJPUWSKDROB-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 243.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1342.43
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide (CID 161313833) is 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide.

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

The canonical SMILES for 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide is C.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)c(OC)c12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(OC)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(OC)c12.

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

The InChIKey is VJFWJPUWSKDROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4.C24H22N4O4.C21H27BrN2O3Si.CH4/c2*1-28(2)24(30)21(29)15-9-14(10-25-11-15)17-12-26-23-20(22(17)32-4)18(13-27-23)16-7-5-6-8-19(16)31-3;1-25-18-9-7-6-8-15(18)16-13-24(14-27-10-11-28(3,4)5)21-19(16)20(26-2)17(22)12-23-21;/h5-13,21,29H,1-4H3,(H,26,27);5-13H,1-4H3,(H,26,27);6-9,12-13H,10-11,14H2,1-5H3;1H4.

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

2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 1342.43 g/mol, XLogP of 13.44, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-4-methoxy-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-hydroxy-2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane;2-[5-[4-methoxy-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 161313833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).