[2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C34H50Br2N8O5Si — CID 159357932

About [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

[2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159357932) has the molecular formula C34H50Br2N8O5Si and a molecular weight of 838.72 g/mol. Its IUPAC name is [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159357932
• Molecular Formula: C34H50Br2N8O5Si
• Molecular Weight: 838.72 g/mol
• Exact Mass: 836.20
• IUPAC Name: [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1c[nH]c2ncc(Br)nc12.CC(C)(CO[Si](C)(C)C(C)(C)C)NC(=O)c1cn(COC(=O)C(C)(C)C)c2ncc(Br)nc12
• InChI: InChI=1S/C23H37BrN4O4Si.C11H13BrN4O/c1-21(2,3)20(30)31-14-28-12-15(17-18(28)25-11-16(24)26-17)19(29)27-23(7,8)13-32-33(9,10)22(4,5)6;1-11(2,3)16-10(17)6-4-13-9-8(6)15-7(12)5-14-9/h11-12H,13-14H2,1-10H3,(H,27,29);4-5H,1-3H3,(H,13,14)(H,16,17)
• InChIKey: LIDVGQOTFJDZNH-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 166.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.72
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159357932) is [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(Br)nc12.CC(C)(CO[Si](C)(C)C(C)(C)C)NC(=O)c1cn(COC(=O)C(C)(C)C)c2ncc(Br)nc12.

What is the InChIKey of [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is LIDVGQOTFJDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BrN4O4Si.C11H13BrN4O/c1-21(2,3)20(30)31-14-28-12-15(17-18(28)25-11-16(24)26-17)19(29)27-23(7,8)13-32-33(9,10)22(4,5)6;1-11(2,3)16-10(17)6-4-13-9-8(6)15-7(12)5-14-9/h11-12H,13-14H2,1-10H3,(H,27,29);4-5H,1-3H3,(H,13,14)(H,16,17).

What are the key properties of [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

[2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 838.72 g/mol, XLogP of 7.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-bromo-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate;2-bromo-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159357932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).