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

C26H33F3N4O4Si — CID 67973255

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

2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid (PubChem CID 67973255) has the molecular formula C26H33F3N4O4Si and a molecular weight of 550.65 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid
• PubChem CID: 67973255
• Molecular Formula: C26H33F3N4O4Si
• Molecular Weight: 550.65 g/mol
• Exact Mass: 550.22
• IUPAC Name: 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid
• SMILES: Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)nc1
• InChI: InChI=1S/C26H33F3N4O4Si/c1-17-11-22(37-15-25(2,3)24(34)35)31-13-19(17)18-7-8-20(30-12-18)23-32-21(26(27,28)29)14-33(23)16-36-9-10-38(4,5)6/h7-8,11-14H,9-10,15-16H2,1-6H3,(H,34,35)
• InChIKey: YOOWJAFLHUERDZ-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 99.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.65
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

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

The IUPAC name of 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid (CID 67973255) is 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid.

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

The canonical SMILES for 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid is Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)nc1.

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

The InChIKey is YOOWJAFLHUERDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4Si/c1-17-11-22(37-15-25(2,3)24(34)35)31-13-19(17)18-7-8-20(30-12-18)23-32-21(26(27,28)29)14-33(23)16-36-9-10-38(4,5)6/h7-8,11-14H,9-10,15-16H2,1-6H3,(H,34,35).

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

2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid has a molecular weight of 550.65 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[[4-methyl-5-[6-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 67973255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).