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

C51H66F6N10O8Si2 — CID 157285544

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

2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (PubChem CID 157285544) has the molecular formula C51H66F6N10O8Si2 and a molecular weight of 1117.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• PubChem CID: 157285544
• Molecular Formula: C51H66F6N10O8Si2
• Molecular Weight: 1117.31 g/mol
• Exact Mass: 1116.45
• IUPAC Name: 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
• SMILES: COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)nn3COCC[Si](C)(C)C)nc2)cn1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)nc1
• InChI: InChI=1S/C26H34F3N5O4Si.C25H32F3N5O4Si/c1-17-12-21(38-15-25(2,3)24(35)36-4)31-14-19(17)18-8-9-20(30-13-18)22-32-23(26(27,28)29)33-34(22)16-37-10-11-39(5,6)7;1-16-11-20(37-14-24(2,3)23(34)35)30-13-18(16)17-7-8-19(29-12-17)21-31-22(25(26,27)28)32-33(21)15-36-9-10-38(4,5)6/h8-9,12-14H,10-11,15-16H2,1-7H3;7-8,11-13H,9-10,14-15H2,1-6H3,(H,34,35)
• InChIKey: BAEMNXWLYZWJSX-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 213.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.31
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate (CID 157285544) is 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate.

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

The canonical SMILES for 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2ccc(-c3nc(C(F)(F)F)nn3COCC[Si](C)(C)C)nc2)cn1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)nc1.

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

The InChIKey is BAEMNXWLYZWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O4Si.C25H32F3N5O4Si/c1-17-12-21(38-15-25(2,3)24(35)36-4)31-14-19(17)18-8-9-20(30-13-18)22-32-23(26(27,28)29)33-34(22)16-37-10-11-39(5,6)7;1-16-11-20(37-14-24(2,3)23(34)35)30-13-18(16)17-7-8-19(29-12-17)21-31-22(25(26,27)28)32-33(21)15-36-9-10-38(4,5)6/h8-9,12-14H,10-11,15-16H2,1-7H3;7-8,11-13H,9-10,14-15H2,1-6H3,(H,34,35).

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

2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate has a molecular weight of 1117.31 g/mol, XLogP of 11.15, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 157285544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).