[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

C23H37BrN4O4Si — CID 86677999

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-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate (PubChem CID 86677999) has the molecular formula C23H37BrN4O4Si and a molecular weight of 541.56 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.

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
• PubChem CID: 86677999
• Molecular Formula: C23H37BrN4O4Si
• Molecular Weight: 541.56 g/mol
• Exact Mass: 540.18
• 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
• SMILES: 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/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/h11-12H,13-14H2,1-10H3,(H,27,29)
• InChIKey: CQBSXWIJAHGCNK-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.56
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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?

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 (CID 86677999) 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.

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?

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 is 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?

The InChIKey is CQBSXWIJAHGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BrN4O4Si/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/h11-12H,13-14H2,1-10H3,(H,27,29).

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-7-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 541.56 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 86677999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).