N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H33N7O2Si — CID 71280392

About N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280392) has the molecular formula C26H33N7O2Si and a molecular weight of 503.68 g/mol. Its IUPAC name is N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280392
• Molecular Formula: C26H33N7O2Si
• Molecular Weight: 503.68 g/mol
• Exact Mass: 503.25
• IUPAC Name: N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(C#N)ccc21
• InChI: InChI=1S/C26H33N7O2Si/c1-26(2,3)30-25(34)19-15-33(16-35-10-11-36(5,6)7)24-23(19)29-20(14-28-24)22-18-12-17(13-27)8-9-21(18)32(4)31-22/h8-9,12,14-15H,10-11,16H2,1-7H3,(H,30,34)
• InChIKey: PJKMFEZRXPYZNI-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 110.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.68
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280392) is N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(C#N)ccc21.

What is the InChIKey of N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is PJKMFEZRXPYZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2Si/c1-26(2,3)30-25(34)19-15-33(16-35-10-11-36(5,6)7)24-23(19)29-20(14-28-24)22-18-12-17(13-27)8-9-21(18)32(4)31-22/h8-9,12,14-15H,10-11,16H2,1-7H3,(H,30,34).

What are the key properties of N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 503.68 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(5-cyano-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).