N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H35N7O2Si — CID 131735557

About N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 131735557) has the molecular formula C22H35N7O2Si and a molecular weight of 457.66 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 131735557
• Molecular Formula: C22H35N7O2Si
• Molecular Weight: 457.66 g/mol
• Exact Mass: 457.26
• IUPAC Name: N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCn1cc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C22H35N7O2Si/c1-8-29-13-16(11-24-29)25-18-12-23-20-19(26-18)17(21(30)27-22(2,3)4)14-28(20)15-31-9-10-32(5,6)7/h11-14H,8-10,15H2,1-7H3,(H,25,26)(H,27,30)
• InChIKey: HAAZMOGIGUDUMC-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.66
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
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-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 131735557) is N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCn1cc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)cn1.

What is the InChIKey of N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is HAAZMOGIGUDUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O2Si/c1-8-29-13-16(11-24-29)25-18-12-23-20-19(26-18)17(21(30)27-22(2,3)4)14-28(20)15-31-9-10-32(5,6)7/h11-14H,8-10,15H2,1-7H3,(H,25,26)(H,27,30).

What are the key properties of N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 457.66 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 131735557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).