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

C34H43BrN6O4Si — CID 161062133

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

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (PubChem CID 161062133) has the molecular formula C34H43BrN6O4Si and a molecular weight of 707.75 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
• PubChem CID: 161062133
• Molecular Formula: C34H43BrN6O4Si
• Molecular Weight: 707.75 g/mol
• Exact Mass: 706.23
• IUPAC Name: 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
• SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
• InChI: InChI=1S/C17H26BrN3O2Si.C17H17N3O2/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(21)12-9-18-16-14(12)20-13(10-19-16)22-11-7-5-4-6-8-11/h9-10H,7-8,11H2,1-6H3;4-10H,1-3H3,(H,18,19)
• InChIKey: UDNPKWVKIWEVIJ-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 124.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.75
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?

The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one (CID 161062133) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-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;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?

The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.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;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one?

The InChIKey is UDNPKWVKIWEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2Si.C17H17N3O2/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(21)12-9-18-16-14(12)20-13(10-19-16)22-11-7-5-4-6-8-11/h9-10H,7-8,11H2,1-6H3;4-10H,1-3H3,(H,18,19).

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

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one has a molecular weight of 707.75 g/mol, XLogP of 8.71, 9 rotatable bonds, 1 hydrogen bond donors, and 9 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;2,2-dimethyl-1-(2-phenoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 161062133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).