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

C25H32F3N5O4Si — CID 67973519

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

2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid (PubChem CID 67973519) has the molecular formula C25H32F3N5O4Si and a molecular weight of 551.64 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid
• PubChem CID: 67973519
• Molecular Formula: C25H32F3N5O4Si
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.22
• IUPAC Name: 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid
• SMILES: Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C25H32F3N5O4Si/c1-16-9-21(37-14-24(2,3)23(34)35)31-10-17(16)18-11-30-19(12-29-18)22-32-20(25(26,27)28)13-33(22)15-36-7-8-38(4,5)6/h9-13H,7-8,14-15H2,1-6H3,(H,34,35)
• InChIKey: IJDXKQJCFWQGHH-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 112.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
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 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid?

The IUPAC name of 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid (CID 67973519) is 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid.

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

The canonical SMILES for 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid is Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)cn1.

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

The InChIKey is IJDXKQJCFWQGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O4Si/c1-16-9-21(37-14-24(2,3)23(34)35)31-10-17(16)18-11-30-19(12-29-18)22-32-20(25(26,27)28)13-33(22)15-36-7-8-38(4,5)6/h9-13H,7-8,14-15H2,1-6H3,(H,34,35).

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

2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid has a molecular weight of 551.64 g/mol, XLogP of 5.53, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[[4-methyl-5-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 67973519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).