2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

C47H73BrN10O5Si3 — CID 157095491

About 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157095491) has the molecular formula C47H73BrN10O5Si3 and a molecular weight of 1022.33 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 157095491
• Molecular Formula: C47H73BrN10O5Si3
• Molecular Weight: 1022.33 g/mol
• Exact Mass: 1020.43
• IUPAC Name: 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
• InChI: InChI=1S/C30H46N6O3Si2.C17H27BrN4O2Si/c1-30(2,3)34-29(37)23-19-36(21-39-15-17-41(7,8)9)28-25(23)33-24(18-32-28)26-27-22(10-12-31-26)11-13-35(27)20-38-14-16-40(4,5)6;1-17(2,3)21-16(23)12-10-22(11-24-7-8-25(4,5)6)15-14(12)20-13(18)9-19-15/h10-13,18-19H,14-17,20-21H2,1-9H3,(H,34,37);9-10H,7-8,11H2,1-6H3,(H,21,23)
• InChIKey: AFDWFAYIPOENEC-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 165.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1022.33
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157095491) is 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nccc4ccn(COCC[Si](C)(C)C)c34)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.

What is the InChIKey of 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is AFDWFAYIPOENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3Si2.C17H27BrN4O2Si/c1-30(2,3)34-29(37)23-19-36(21-39-15-17-41(7,8)9)28-25(23)33-24(18-32-28)26-27-22(10-12-31-26)11-13-35(27)20-38-14-16-40(4,5)6;1-17(2,3)21-16(23)12-10-22(11-24-7-8-25(4,5)6)15-14(12)20-13(18)9-19-15/h10-13,18-19H,14-17,20-21H2,1-9H3,(H,34,37);9-10H,7-8,11H2,1-6H3,(H,21,23).

What are the key properties of 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1022.33 g/mol, XLogP of 10.64, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).