2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C48H69Br2N11O8Si2 — CID 158124895

About 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158124895) has the molecular formula C48H69Br2N11O8Si2 and a molecular weight of 1144.13 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158124895
• Molecular Formula: C48H69Br2N11O8Si2
• Molecular Weight: 1144.13 g/mol
• Exact Mass: 1141.32
• IUPAC Name: 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@H](NC(=O)c1c[nH]c2ncc(C3=CCCC3)nc12)C(C)(C)O.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21
• InChI: InChI=1S/C18H29BrN4O3Si.C17H22N4O2.C13H18BrN3O3Si/c1-12(18(2,3)25)21-17(24)13-10-23(11-26-7-8-27(4,5)6)16-15(13)22-14(19)9-20-16;1-10(17(2,3)23)20-16(22)12-8-18-15-14(12)21-13(9-19-15)11-6-4-5-7-11;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h9-10,12,25H,7-8,11H2,1-6H3,(H,21,24);6,8-10,23H,4-5,7H2,1-3H3,(H,18,19)(H,20,22);6-7H,4-5,8H2,1-3H3,(H,18,19)/t12-;10-;/m00./s1
• InChIKey: FSAWIOMKXCGFFP-BBLGEKMZSA-N
• XLogP: 9.01
• TPSA: 257.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1144.13
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

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-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158124895) is 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1c[nH]c2ncc(C3=CCCC3)nc12)C(C)(C)O.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)C(C)(C)O.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(Br)cnc21.

What is the InChIKey of 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is FSAWIOMKXCGFFP-BBLGEKMZSA-N. The full InChI is InChI=1S/C18H29BrN4O3Si.C17H22N4O2.C13H18BrN3O3Si/c1-12(18(2,3)25)21-17(24)13-10-23(11-26-7-8-27(4,5)6)16-15(13)22-14(19)9-20-16;1-10(17(2,3)23)20-16(22)12-8-18-15-14(12)21-13(9-19-15)11-6-4-5-7-11;1-21(2,3)5-4-20-8-17-7-9(13(18)19)11-12(17)15-6-10(14)16-11/h9-10,12,25H,7-8,11H2,1-6H3,(H,21,24);6,8-10,23H,4-5,7H2,1-3H3,(H,18,19)(H,20,22);6-7H,4-5,8H2,1-3H3,(H,18,19)/t12-;10-;/m00./s1.

What are the key properties of 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1144.13 g/mol, XLogP of 9.01, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-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;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158124895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).