tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane

C32H46FN5OSi2 — CID 23588834

About tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane (PubChem CID 23588834) has the molecular formula C32H46FN5OSi2 and a molecular weight of 591.92 g/mol. Its IUPAC name is tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane
• PubChem CID: 23588834
• Molecular Formula: C32H46FN5OSi2
• Molecular Weight: 591.92 g/mol
• Exact Mass: 591.32
• IUPAC Name: tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1-c1cn(CCCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C32H46FN5OSi2/c1-32(2,3)41(7,8)39-21-20-38-31(28-23-37(24-35-28)19-9-10-22-40(4,5)6)29(25-15-17-34-18-16-25)30(36-38)26-11-13-27(33)14-12-26/h11-18,23-24H,9-10,19-22H2,1-8H3
• InChIKey: NDQKUXQUUWKTQD-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.92
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane (CID 23588834) is tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1-c1cn(CCCC[Si](C)(C)C)cn1.

What is the InChIKey of tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane?

The InChIKey is NDQKUXQUUWKTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46FN5OSi2/c1-32(2,3)41(7,8)39-21-20-38-31(28-23-37(24-35-28)19-9-10-22-40(4,5)6)29(25-15-17-34-18-16-25)30(36-38)26-11-13-27(33)14-12-26/h11-18,23-24H,9-10,19-22H2,1-8H3.

What are the key properties of tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane?

tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane has a molecular weight of 591.92 g/mol, XLogP of 8.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[3-(4-fluorophenyl)-4-pyridin-4-yl-5-[1-(4-trimethylsilylbutyl)imidazol-4-yl]pyrazol-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 23588834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).