2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C48H57BrN10O8Si2 — CID 158604574

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158604574) has the molecular formula C48H57BrN10O8Si2 and a molecular weight of 1038.12 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 158604574
• Molecular Formula: C48H57BrN10O8Si2
• Molecular Weight: 1038.12 g/mol
• Exact Mass: 1036.31
• IUPAC Name: 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Oc3ccccc3)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
• InChI: InChI=1S/C19H23N3O4Si.C16H16N4O2.C13H18BrN3O2Si/c1-27(2,3)10-9-25-13-22-12-15(19(23)24)17-18(22)20-11-16(21-17)26-14-7-5-4-6-8-14;1-10(2)19-16(21)12-8-17-15-14(12)20-13(9-18-15)22-11-6-4-3-5-7-11;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,24);3-10H,1-2H3,(H,17,18)(H,19,21);6-8H,4-5,9H2,1-3H3
• InChIKey: HWBAZBLXAPWPIF-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 223.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1038.12
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158604574) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

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

The canonical SMILES for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Oc3ccccc3)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is HWBAZBLXAPWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4Si.C16H16N4O2.C13H18BrN3O2Si/c1-27(2,3)10-9-25-13-22-12-15(19(23)24)17-18(22)20-11-16(21-17)26-14-7-5-4-6-8-14;1-10(2)19-16(21)12-8-17-15-14(12)20-13(9-18-15)22-11-6-4-3-5-7-11;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,24);3-10H,1-2H3,(H,17,18)(H,19,21);6-8H,4-5,9H2,1-3H3.

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

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1038.12 g/mol, XLogP of 10.44, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158604574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).