2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C30H45Br2N7O6Si2 — CID 159244012

About 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 159244012) has the molecular formula C30H45Br2N7O6Si2 and a molecular weight of 815.71 g/mol. Its IUPAC name is 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 159244012
• Molecular Formula: C30H45Br2N7O6Si2
• Molecular Weight: 815.71 g/mol
• Exact Mass: 813.13
• IUPAC Name: 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C17H27BrN4O3Si.C13H18BrN3O3Si/c1-17(2,10-23)21-16(24)12-9-22(11-25-6-7-26(3,4)5)15-14(12)20-13(18)8-19-15;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24);6-7H,4-5,8H2,1-3H3,(H,18,19)
• InChIKey: KULICQQBFSEHIQ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 166.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.71
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 159244012) is 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is KULICQQBFSEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN4O3Si.C13H18BrN3O3Si/c1-17(2,10-23)21-16(24)12-9-22(11-25-6-7-26(3,4)5)15-14(12)20-13(18)8-19-15;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24);6-7H,4-5,8H2,1-3H3,(H,18,19).

What are the key properties of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 815.71 g/mol, XLogP of 6.21, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 159244012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).