5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

C40H52N14O4S2Si2 — CID 157088992

About 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol

5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (PubChem CID 157088992) has the molecular formula C40H52N14O4S2Si2 and a molecular weight of 913.26 g/mol. Its IUPAC name is 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 157088992
• Molecular Formula: C40H52N14O4S2Si2
• Molecular Weight: 913.26 g/mol
• Exact Mass: 912.33
• IUPAC Name: 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol
• SMILES: Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(C=O)ns2)n1.Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(CO)ns2)n1
• InChI: InChI=1S/C20H27N7O2SSi.C20H25N7O2SSi/c2*1-14-10-27-17(15-8-22-26(11-15)13-29-5-6-31(2,3)4)9-21-20(27)19(23-14)24-18-7-16(12-28)25-30-18/h7-11,28H,5-6,12-13H2,1-4H3,(H,23,24);7-12H,5-6,13H2,1-4H3,(H,23,24)
• InChIKey: AEKWXTFLXHVDGB-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 201.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.26
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol (CID 157088992) is 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol.

What is the SMILES notation for 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The canonical SMILES for 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(C=O)ns2)n1.Cc1cn2c(-c3cnn(COCC[Si](C)(C)C)c3)cnc2c(Nc2cc(CO)ns2)n1.

What is the InChIKey of 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

The InChIKey is AEKWXTFLXHVDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2SSi.C20H25N7O2SSi/c2*1-14-10-27-17(15-8-22-26(11-15)13-29-5-6-31(2,3)4)9-21-20(27)19(23-14)24-18-7-16(12-28)25-30-18/h7-11,28H,5-6,12-13H2,1-4H3,(H,23,24);7-12H,5-6,13H2,1-4H3,(H,23,24).

What are the key properties of 5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol?

5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 913.26 g/mol, XLogP of 8.13, 18 rotatable bonds, 3 hydrogen bond donors, and 20 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]-1,2-thiazole-3-carbaldehyde;[5-[[6-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 157088992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).