N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H36N6O2Si — CID 71289248

About N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71289248) has the molecular formula C26H36N6O2Si and a molecular weight of 492.70 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71289248
• Molecular Formula: C26H36N6O2Si
• Molecular Weight: 492.70 g/mol
• Exact Mass: 492.27
• IUPAC Name: N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)n[nH]c2c1
• InChI: InChI=1S/C26H36N6O2Si/c1-16-10-11-17-19(12-16)30-31-21(17)20-13-27-23-22(28-20)18(14-32(23)7)24(33)29-26(5,6)15-34-35(8,9)25(2,3)4/h10-14H,15H2,1-9H3,(H,29,33)(H,30,31)
• InChIKey: DOMLTQKOGZGLBU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.70
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71289248) is N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc2c(-c3cnc4c(n3)c(C(=O)NC(C)(C)CO[Si](C)(C)C(C)(C)C)cn4C)n[nH]c2c1.

What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is DOMLTQKOGZGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2Si/c1-16-10-11-17-19(12-16)30-31-21(17)20-13-27-23-22(28-20)18(14-32(23)7)24(33)29-26(5,6)15-34-35(8,9)25(2,3)4/h10-14H,15H2,1-9H3,(H,29,33)(H,30,31).

What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 492.70 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-5-methyl-2-(6-methyl-1H-indazol-3-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71289248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).