5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine

C94H99F3N18O9S — CID 157098284

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 157098284) has the molecular formula C94H99F3N18O9S and a molecular weight of 1714.00 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 157098284
• Molecular Formula: C94H99F3N18O9S
• Molecular Weight: 1714.00 g/mol
• Exact Mass: 1712.75
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine
• SMILES: COc1cc(C)cc(CCc2ccc(-c3ccc(CN(C)C)nc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2c(C)nn(CCO)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(N3CCOCC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(OCCS(C)(=O)=O)cc2)c2nncn12
• InChI: InChI=1S/C24H24FN5O2.C24H24FN3O4S.C24H27N5O.C22H24FN5O2/c1-31-22-4-2-3-21(25)20(22)9-7-18-6-8-19(24-28-27-16-30(18)24)17-5-10-23(26-15-17)29-11-13-32-14-12-29;1-31-23-5-3-4-22(25)21(23)13-9-18-8-12-20(24-27-26-16-28(18)24)17-6-10-19(11-7-17)32-14-15-33(2,29)30;1-17-11-18(13-22(12-17)30-4)5-8-21-9-10-23(24-27-26-16-29(21)24)19-6-7-20(25-14-19)15-28(2)3;1-14-21(15(2)28(26-14)11-12-29)18-10-8-16(27-13-24-25-22(18)27)7-9-17-19(23)5-4-6-20(17)30-3/h2-6,8,10,15-16H,7,9,11-14H2,1H3;3-8,10-12,16H,9,13-15H2,1-2H3;6-7,9-14,16H,5,8,15H2,1-4H3;4-6,8,10,13,29H,7,9,11-12H2,1-3H3
• InChIKey: AFLRWMBOOGATGK-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 280.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.00
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine?

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine (CID 157098284) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine is COc1cc(C)cc(CCc2ccc(-c3ccc(CN(C)C)nc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2c(C)nn(CCO)c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(N3CCOCC3)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(OCCS(C)(=O)=O)cc2)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine?

The InChIKey is AFLRWMBOOGATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2.C24H24FN3O4S.C24H27N5O.C22H24FN5O2/c1-31-22-4-2-3-21(25)20(22)9-7-18-6-8-19(24-28-27-16-30(18)24)17-5-10-23(26-15-17)29-11-13-32-14-12-29;1-31-23-5-3-4-22(25)21(23)13-9-18-8-12-20(24-27-26-16-28(18)24)17-6-10-19(11-7-17)32-14-15-33(2,29)30;1-17-11-18(13-22(12-17)30-4)5-8-21-9-10-23(24-27-26-16-29(21)24)19-6-7-20(25-14-19)15-28(2)3;1-14-21(15(2)28(26-14)11-12-29)18-10-8-16(27-13-24-25-22(18)27)7-9-17-19(23)5-4-6-20(17)30-3/h2-6,8,10,15-16H,7,9,11-14H2,1H3;3-8,10-12,16H,9,13-15H2,1-2H3;6-7,9-14,16H,5,8,15H2,1-4H3;4-6,8,10,13,29H,7,9,11-12H2,1-3H3.

What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine?

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 1714.00 g/mol, XLogP of 14.40, 29 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 157098284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).