2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C34H47BrN10O3Si — CID 158441185

About 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158441185) has the molecular formula C34H47BrN10O3Si and a molecular weight of 751.81 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158441185
• Molecular Formula: C34H47BrN10O3Si
• Molecular Weight: 751.81 g/mol
• Exact Mass: 750.28
• IUPAC Name: 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1
• InChI: InChI=1S/C17H27BrN4O2Si.C17H20N6O/c1-17(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;1-10-5-6-11(7-18-10)21-13-9-20-15-14(22-13)12(8-19-15)16(24)23-17(2,3)4/h9-10H,7-8,11H2,1-6H3,(H,21,23);5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
• InChIKey: HCVIAHJCLXUMGM-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 164.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.81
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	4
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 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158441185) is 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1.

What is the InChIKey of 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is HCVIAHJCLXUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN4O2Si.C17H20N6O/c1-17(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;1-10-5-6-11(7-18-10)21-13-9-20-15-14(22-13)12(8-19-15)16(24)23-17(2,3)4/h9-10H,7-8,11H2,1-6H3,(H,21,23);5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24).

What are the key properties of 2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[(6-methyl-3-pyridinyl)amino]-5H-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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 751.81 g/mol, XLogP of 6.97, 9 rotatable bonds, 4 hydrogen bond donors, and 10 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-2-[(6-methyl-3-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158441185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).