[5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol

C34H45F2N9O3SSi2 — CID 59503683

About [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol

[5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol (PubChem CID 59503683) has the molecular formula C34H45F2N9O3SSi2 and a molecular weight of 754.03 g/mol. Its IUPAC name is [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol.

Molecular Properties

• Compound Name: [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol
• PubChem CID: 59503683
• Molecular Formula: C34H45F2N9O3SSi2
• Molecular Weight: 754.03 g/mol
• Exact Mass: 753.29
• IUPAC Name: [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol
• SMILES: Cc1cn2c(-c3cnn(Cc4nc5c(F)c(F)ccc5n4COCC[Si](C)(C)C)c3)cnc2c(N(COCC[Si](C)(C)C)c2cc(CO)ns2)n1
• InChI: InChI=1S/C34H45F2N9O3SSi2/c1-23-17-43-28(16-37-33(43)34(39-23)45(22-48-11-13-51(5,6)7)30-14-25(20-46)41-49-30)24-15-38-42(18-24)19-29-40-32-27(9-8-26(35)31(32)36)44(29)21-47-10-12-50(2,3)4/h8-9,14-18,46H,10-13,19-22H2,1-7H3
• InChIKey: UFNJRHQUUFWNFA-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 120.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.03
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol?

The IUPAC name of [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol (CID 59503683) is [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol.

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

The canonical SMILES for [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol is Cc1cn2c(-c3cnn(Cc4nc5c(F)c(F)ccc5n4COCC[Si](C)(C)C)c3)cnc2c(N(COCC[Si](C)(C)C)c2cc(CO)ns2)n1.

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

The InChIKey is UFNJRHQUUFWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F2N9O3SSi2/c1-23-17-43-28(16-37-33(43)34(39-23)45(22-48-11-13-51(5,6)7)30-14-25(20-46)41-49-30)24-15-38-42(18-24)19-29-40-32-27(9-8-26(35)31(32)36)44(29)21-47-10-12-50(2,3)4/h8-9,14-18,46H,10-13,19-22H2,1-7H3.

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

[5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol has a molecular weight of 754.03 g/mol, XLogP of 7.29, 16 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[3-[1-[[4,5-difluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyrazol-4-yl]-6-methylimidazo[1,2-a]pyrazin-8-yl]-(2-trimethylsilylethoxymethyl)amino]-1,2-thiazol-3-yl]methanol is sourced from PubChem (CID 59503683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).