5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine

C110H104F4N18O11S3 — CID 161036621

About 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine

5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine (PubChem CID 161036621) has the molecular formula C110H104F4N18O11S3 and a molecular weight of 2026.35 g/mol. Its IUPAC name is 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine
• PubChem CID: 161036621
• Molecular Formula: C110H104F4N18O11S3
• Molecular Weight: 2026.35 g/mol
• Exact Mass: 2024.72
• IUPAC Name: 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine
• SMILES: COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(F)c(CCc2ccc(-c3ccc(S(C)(=O)=O)cc3)c3nncn23)c1.COc1ccc(F)c(CCc2ccc(-c3ccc(S(C)(=O)=O)nc3)c3nncn23)c1.COc1ccc(F)c(CCc2ccc(-c3cccnc3)c3nncn23)c1.COc1ccccc1CCc1ccc(-c2ccc(CCN(C)C)cc2)c2nncn12
• InChI: InChI=1S/C25H28N4O.2C22H20FN3O3S.C21H19FN4O3S.C20H17FN4O/c1-28(2)17-16-19-8-10-20(11-9-19)23-15-14-22(29-18-26-27-25(23)29)13-12-21-6-4-5-7-24(21)30-3;1-29-18-8-12-21(23)16(13-18)3-6-17-7-11-20(22-25-24-14-26(17)22)15-4-9-19(10-5-15)30(2,27)28;1-29-21-16(4-3-5-20(21)23)6-9-17-10-13-19(22-25-24-14-26(17)22)15-7-11-18(12-8-15)30(2,27)28;1-29-17-7-9-19(22)14(11-17)3-5-16-6-8-18(21-25-24-13-26(16)21)15-4-10-20(23-12-15)30(2,27)28;1-26-17-7-9-19(21)14(11-17)4-5-16-6-8-18(15-3-2-10-22-12-15)20-24-23-13-25(16)20/h4-11,14-15,18H,12-13,16-17H2,1-3H3;4-5,7-14H,3,6H2,1-2H3;3-5,7-8,10-14H,6,9H2,1-2H3;4,6-13H,3,5H2,1-2H3;2-3,6-13H,4-5H2,1H3
• InChIKey: UAIJCNOQKUNWLS-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 328.54 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.35
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine?

The IUPAC name of 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine (CID 161036621) is 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine.

What is the SMILES notation for 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine?

The canonical SMILES for 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine is COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(F)c(CCc2ccc(-c3ccc(S(C)(=O)=O)cc3)c3nncn23)c1.COc1ccc(F)c(CCc2ccc(-c3ccc(S(C)(=O)=O)nc3)c3nncn23)c1.COc1ccc(F)c(CCc2ccc(-c3cccnc3)c3nncn23)c1.COc1ccccc1CCc1ccc(-c2ccc(CCN(C)C)cc2)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine?

The InChIKey is UAIJCNOQKUNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.2C22H20FN3O3S.C21H19FN4O3S.C20H17FN4O/c1-28(2)17-16-19-8-10-20(11-9-19)23-15-14-22(29-18-26-27-25(23)29)13-12-21-6-4-5-7-24(21)30-3;1-29-18-8-12-21(23)16(13-18)3-6-17-7-11-20(22-25-24-14-26(17)22)15-4-9-19(10-5-15)30(2,27)28;1-29-21-16(4-3-5-20(21)23)6-9-17-10-13-19(22-25-24-14-26(17)22)15-7-11-18(12-8-15)30(2,27)28;1-29-17-7-9-19(22)14(11-17)3-5-16-6-8-18(21-25-24-13-26(16)21)15-4-10-20(23-12-15)30(2,27)28;1-26-17-7-9-19(21)14(11-17)4-5-16-6-8-18(15-3-2-10-22-12-15)20-24-23-13-25(16)20/h4-11,14-15,18H,12-13,16-17H2,1-3H3;4-5,7-14H,3,6H2,1-2H3;3-5,7-8,10-14H,6,9H2,1-2H3;4,6-13H,3,5H2,1-2H3;2-3,6-13H,4-5H2,1H3.

What are the key properties of 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine?

5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine has a molecular weight of 2026.35 g/mol, XLogP of 18.61, 31 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 161036621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).