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

C17H27BrN4O3Si — CID 71575647

IUPAC2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C17H27BrN4O3Si/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/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24)
InChIKeyHCYBNYLZWLXOHD-UHFFFAOYSA-N
MW443.42 g/mol
LogP3.01
Rot. Bonds8

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

2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71575647) has the molecular formula C17H27BrN4O3Si and a molecular weight of 443.42 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.

Molecular Properties

Compound Name2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71575647
Molecular FormulaC17H27BrN4O3Si
Molecular Weight443.42 g/mol
Exact Mass442.10
IUPAC Name2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C17H27BrN4O3Si/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/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24)
InChIKeyHCYBNYLZWLXOHD-UHFFFAOYSA-N
XLogP3.01
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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?
The IUPAC name of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71575647) is 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
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?
The canonical SMILES for 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.
What is the InChIKey of 2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HCYBNYLZWLXOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN4O3Si/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/h8-9,23H,6-7,10-11H2,1-5H3,(H,21,24).
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-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 443.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 71575647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).