2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine

C38H64Br2N8O5Si2 — CID 159098829

About 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine

2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine (PubChem CID 159098829) has the molecular formula C38H64Br2N8O5Si2 and a molecular weight of 928.96 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine.

Molecular Properties

• Compound Name: 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine
• PubChem CID: 159098829
• Molecular Formula: C38H64Br2N8O5Si2
• Molecular Weight: 928.96 g/mol
• Exact Mass: 926.29
• IUPAC Name: 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine
• SMILES: C[C@H](N)C(C)(C)C.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)C.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C19H31BrN4O2Si.C13H18BrN3O3Si.C6H15N/c1-13(19(2,3)4)22-18(25)14-11-24(12-26-8-9-27(5,6)7)17-16(14)23-15(20)10-21-17;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-5(7)6(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,22,25);6-7H,4-5,8H2,1-3H3,(H,18,19);5H,7H2,1-4H3/t13-;;5-/m0.0/s1
• InChIKey: KDABCUGAIAEJBD-WDXSOXSKSA-N
• XLogP: 9.25
• TPSA: 172.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.96
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine?

The IUPAC name of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine (CID 159098829) is 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine.

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

The canonical SMILES for 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine is C[C@H](N)C(C)(C)C.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)C.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine?

The InChIKey is KDABCUGAIAEJBD-WDXSOXSKSA-N. The full InChI is InChI=1S/C19H31BrN4O2Si.C13H18BrN3O3Si.C6H15N/c1-13(19(2,3)4)22-18(25)14-11-24(12-26-8-9-27(5,6)7)17-16(14)23-15(20)10-21-17;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11;1-5(7)6(2,3)4/h10-11,13H,8-9,12H2,1-7H3,(H,22,25);6-7H,4-5,8H2,1-3H3,(H,18,19);5H,7H2,1-4H3/t13-;;5-/m0.0/s1.

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

2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine has a molecular weight of 928.96 g/mol, XLogP of 9.25, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2S)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 159098829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).