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

C55H60Br2F6N8O7Si — CID 160513324

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

2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane (PubChem CID 160513324) has the molecular formula C55H60Br2F6N8O7Si and a molecular weight of 1247.02 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
• PubChem CID: 160513324
• Molecular Formula: C55H60Br2F6N8O7Si
• Molecular Weight: 1247.02 g/mol
• Exact Mass: 1244.26
• IUPAC Name: 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane
• SMILES: C.CN(C)C(=O)C(O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(C(F)(F)F)c12
• InChI: InChI=1S/C24H21F3N4O3.C21H24BrF3N2O2Si.C9H11BrN2O2.CH4/c1-31(2)23(33)21(32)14-8-13(9-28-10-14)16-11-29-22-19(20(16)24(25,26)27)17(12-30-22)15-6-4-5-7-18(15)34-3;1-28-17-8-6-5-7-14(17)15-12-27(13-29-9-10-30(2,3)4)20-18(15)19(21(23,24)25)16(22)11-26-20;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;/h4-12,21,32H,1-3H3,(H,29,30);5-8,11-12H,9-10,13H2,1-4H3;3-5,8,13H,1-2H3;1H4
• InChIKey: QTICKEPMTGHDHE-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 181.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.02
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane (CID 160513324) is 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane.

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

The canonical SMILES for 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane is C.CN(C)C(=O)C(O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(C(F)(F)F)c12.COc1ccccc1-c1cn(COCC[Si](C)(C)C)c2ncc(Br)c(C(F)(F)F)c12.

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

The InChIKey is QTICKEPMTGHDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3.C21H24BrF3N2O2Si.C9H11BrN2O2.CH4/c1-31(2)23(33)21(32)14-8-13(9-28-10-14)16-11-29-22-19(20(16)24(25,26)27)17(12-30-22)15-6-4-5-7-18(15)34-3;1-28-17-8-6-5-7-14(17)15-12-27(13-29-9-10-30(2,3)4)20-18(15)19(21(23,24)25)16(22)11-26-20;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;/h4-12,21,32H,1-3H3,(H,29,30);5-8,11-12H,9-10,13H2,1-4H3;3-5,8,13H,1-2H3;1H4.

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

2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane has a molecular weight of 1247.02 g/mol, XLogP of 12.85, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-(2-methoxyphenyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(5-bromo-3-pyridinyl)-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-2-[5-[3-(2-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;methane is sourced from PubChem (CID 160513324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).