[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone

C25H33N7O2SSi — CID 59503537

About [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone

[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59503537) has the molecular formula C25H33N7O2SSi and a molecular weight of 523.74 g/mol. Its IUPAC name is [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 59503537
• Molecular Formula: C25H33N7O2SSi
• Molecular Weight: 523.74 g/mol
• Exact Mass: 523.22
• IUPAC Name: [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(C(=O)N3CCCC3)cs2)n1
• InChI: InChI=1S/C25H33N7O2SSi/c1-18-14-32-21(20-12-27-31(15-20)17-34-9-10-36(2,3)4)13-26-24(32)23(28-18)29-22-11-19(16-35-22)25(33)30-7-5-6-8-30/h11-16H,5-10,17H2,1-4H3,(H,28,29)
• InChIKey: WURTYALIHSUFIE-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.74
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone (CID 59503537) is [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone is Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(C(=O)N3CCCC3)cs2)n1.

What is the InChIKey of [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is WURTYALIHSUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2SSi/c1-18-14-32-21(20-12-27-31(15-20)17-34-9-10-36(2,3)4)13-26-24(32)23(28-18)29-22-11-19(16-35-22)25(33)30-7-5-6-8-30/h11-16H,5-10,17H2,1-4H3,(H,28,29).

What are the key properties of [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone?

[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 523.74 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59503537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).