2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C45H46FN5O2Si — CID 69350340

About 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69350340) has the molecular formula C45H46FN5O2Si and a molecular weight of 735.98 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 69350340
• Molecular Formula: C45H46FN5O2Si
• Molecular Weight: 735.98 g/mol
• Exact Mass: 735.34
• IUPAC Name: 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(CCOC(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2)n1
• InChI: InChI=1S/C45H46FN5O2Si/c1-34-15-14-22-42(48-34)44-40(30-51(49-44)33-52-27-28-54(2,3)4)35-23-24-41(46)39(29-35)43-31-50(32-47-43)25-26-53-45(36-16-8-5-9-17-36,37-18-10-6-11-19-37)38-20-12-7-13-21-38/h5-24,29-32H,25-28,33H2,1-4H3
• InChIKey: PAYOHPVBWXJGAQ-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 66.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.98
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69350340) is 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc(F)c(-c3cn(CCOC(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)c2)n1.

What is the InChIKey of 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is PAYOHPVBWXJGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46FN5O2Si/c1-34-15-14-22-42(48-34)44-40(30-51(49-44)33-52-27-28-54(2,3)4)35-23-24-41(46)39(29-35)43-31-50(32-47-43)25-26-53-45(36-16-8-5-9-17-36,37-18-10-6-11-19-37)38-20-12-7-13-21-38/h5-24,29-32H,25-28,33H2,1-4H3.

What are the key properties of 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 735.98 g/mol, XLogP of 10.24, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69350340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).