methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

C27H35F3N4O4Si — CID 67975318

About methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate

methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 67975318) has the molecular formula C27H35F3N4O4Si and a molecular weight of 564.68 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 67975318
• Molecular Formula: C27H35F3N4O4Si
• Molecular Weight: 564.68 g/mol
• Exact Mass: 564.24
• IUPAC Name: methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)nc2)cn1
• InChI: InChI=1S/C27H35F3N4O4Si/c1-18-12-23(38-16-26(2,3)25(35)36-4)32-14-20(18)19-8-9-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(5,6)7/h8-9,12-15H,10-11,16-17H2,1-7H3
• InChIKey: DUXBVQAXQHNZAL-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 88.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.68
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The IUPAC name of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 67975318) is methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

What is the SMILES notation for methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The canonical SMILES for methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)cn3COCC[Si](C)(C)C)nc2)cn1.

What is the InChIKey of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

The InChIKey is DUXBVQAXQHNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N4O4Si/c1-18-12-23(38-16-26(2,3)25(35)36-4)32-14-20(18)19-8-9-21(31-13-19)24-33-22(27(28,29)30)15-34(24)17-37-10-11-39(5,6)7/h8-9,12-15H,10-11,16-17H2,1-7H3.

What are the key properties of methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate?

methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 564.68 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 67975318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).