3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

C48H62F2N10O9Si — CID 158464286

About 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 158464286) has the molecular formula C48H62F2N10O9Si and a molecular weight of 989.17 g/mol. Its IUPAC name is 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

• Compound Name: 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
• PubChem CID: 158464286
• Molecular Formula: C48H62F2N10O9Si
• Molecular Weight: 989.17 g/mol
• Exact Mass: 988.44
• IUPAC Name: 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
• SMILES: Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(OC(C)C)n(COCC[Si](C)(C)C)n2)c(F)c1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(OC(C)C)n[nH]2)c(F)c1
• InChI: InChI=1S/C27H38FN5O5Si.C21H24FN5O4/c1-17(2)38-26-31-24(32-33(26)16-36-9-10-39(6,7)8)23-21(28)12-19(13-30-23)20-14-29-22(11-18(20)3)37-15-27(4,5)25(34)35;1-11(2)31-20-25-18(26-27-20)17-15(22)7-13(8-24-17)14-9-23-16(6-12(14)3)30-10-21(4,5)19(28)29/h11-14,17H,9-10,15-16H2,1-8H3,(H,34,35);6-9,11H,10H2,1-5H3,(H,28,29)(H,25,26,27)
• InChIKey: HFOGKCPREFGCCS-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 244.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.17
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The IUPAC name of 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 158464286) is 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

What is the SMILES notation for 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The canonical SMILES for 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(OC(C)C)n(COCC[Si](C)(C)C)n2)c(F)c1.Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2nc(OC(C)C)n[nH]2)c(F)c1.

What is the InChIKey of 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

The InChIKey is HFOGKCPREFGCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN5O5Si.C21H24FN5O4/c1-17(2)38-26-31-24(32-33(26)16-36-9-10-39(6,7)8)23-21(28)12-19(13-30-23)20-14-29-22(11-18(20)3)37-15-27(4,5)25(34)35;1-11(2)31-20-25-18(26-27-20)17-15(22)7-13(8-24-17)14-9-23-16(6-12(14)3)30-10-21(4,5)19(28)29/h11-14,17H,9-10,15-16H2,1-8H3,(H,34,35);6-9,11H,10H2,1-5H3,(H,28,29)(H,25,26,27).

What are the key properties of 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?

3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 989.17 g/mol, XLogP of 9.09, 21 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 158464286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).