1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one

C34H53BrN6O5Si2 — CID 158121203

About 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one (PubChem CID 158121203) has the molecular formula C34H53BrN6O5Si2 and a molecular weight of 761.91 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one.

Molecular Properties

• Compound Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one
• PubChem CID: 158121203
• Molecular Formula: C34H53BrN6O5Si2
• Molecular Weight: 761.91 g/mol
• Exact Mass: 760.28
• IUPAC Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one
• SMILES: CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(=O)[nH]c12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
• InChI: InChI=1S/C17H26BrN3O2Si.C17H27N3O3Si/c1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-17(2,3)15(22)12-10-20(11-23-7-8-24(4,5)6)16-14(12)19-13(21)9-18-16/h9-10H,7-8,11H2,1-6H3;9-10H,7-8,11H2,1-6H3,(H,19,21)
• InChIKey: FRPWLBYZQVUGMG-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 133.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.91
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one?

The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one (CID 158121203) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one.

What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one?

The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one is CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(=O)[nH]c12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.

What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one?

The InChIKey is FRPWLBYZQVUGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2Si.C17H27N3O3Si/c1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-17(2,3)15(22)12-10-20(11-23-7-8-24(4,5)6)16-14(12)19-13(21)9-18-16/h9-10H,7-8,11H2,1-6H3;9-10H,7-8,11H2,1-6H3,(H,19,21).

What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one?

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one has a molecular weight of 761.91 g/mol, XLogP of 8.00, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)-1H-pyrrolo[2,3-b]pyrazin-2-one is sourced from PubChem (CID 158121203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).