8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

C126H123F6N27O11S2 — CID 159172940

About 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (PubChem CID 159172940) has the molecular formula C126H123F6N27O11S2 and a molecular weight of 2369.67 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
• PubChem CID: 159172940
• Molecular Formula: C126H123F6N27O11S2
• Molecular Weight: 2369.67 g/mol
• Exact Mass: 2367.92
• IUPAC Name: 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
• SMILES: COc1cccc(F)c1CCc1ccc(-c2c(C)n[nH]c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(CCO)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(S(C)(=O)=O)cc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnn(C)c2C)c2nncn12
• InChI: InChI=1S/2C22H21FN4O3S.C22H21FN4O2.3C20H20FN5O/c1-14-11-21(31(3,28)29)24-12-18(14)16-9-7-15(27-13-25-26-22(16)27)8-10-17-19(23)5-4-6-20(17)30-2;1-14-16(11-12-21(25-14)31(3,28)29)17-9-7-15(27-13-24-26-22(17)27)8-10-18-19(23)5-4-6-20(18)30-2;1-29-21-4-2-3-20(23)19(21)10-8-17-7-9-18(22-26-25-14-27(17)22)15-5-6-16(11-12-28)24-13-15;1-13-17(11-25(2)24-13)15-9-7-14(26-12-22-23-20(15)26)8-10-16-18(21)5-4-6-19(16)27-3;1-13-17(11-23-25(13)2)15-9-7-14(26-12-22-24-20(15)26)8-10-16-18(21)5-4-6-19(16)27-3;1-12-19(13(2)24-23-12)16-10-8-14(26-11-22-25-20(16)26)7-9-15-17(21)5-4-6-18(15)27-3/h2*4-7,9,11-13H,8,10H2,1-3H3;2-7,9,13-14,28H,8,10-12H2,1H3;2*4-7,9,11-12H,8,10H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3,(H,23,24)
• InChIKey: KLXNQVIVHNNMON-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 428.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.67
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?

The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (CID 159172940) is 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol.

What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?

The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol is COc1cccc(F)c1CCc1ccc(-c2c(C)n[nH]c2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(CCO)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(S(C)(=O)=O)cc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnn(C)c2C)c2nncn12.

What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?

The InChIKey is KLXNQVIVHNNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4O3S.C22H21FN4O2.3C20H20FN5O/c1-14-11-21(31(3,28)29)24-12-18(14)16-9-7-15(27-13-25-26-22(16)27)8-10-17-19(23)5-4-6-20(17)30-2;1-14-16(11-12-21(25-14)31(3,28)29)17-9-7-15(27-13-24-26-22(17)27)8-10-18-19(23)5-4-6-20(18)30-2;1-29-21-4-2-3-20(23)19(21)10-8-17-7-9-18(22-26-25-14-27(17)22)15-5-6-16(11-12-28)24-13-15;1-13-17(11-25(2)24-13)15-9-7-14(26-12-22-23-20(15)26)8-10-16-18(21)5-4-6-19(16)27-3;1-13-17(11-23-25(13)2)15-9-7-14(26-12-22-24-20(15)26)8-10-16-18(21)5-4-6-19(16)27-3;1-12-19(13(2)24-23-12)16-10-8-14(26-11-22-25-20(16)26)7-9-15-17(21)5-4-6-18(15)27-3/h2*4-7,9,11-13H,8,10H2,1-3H3;2-7,9,13-14,28H,8,10-12H2,1H3;2*4-7,9,11-12H,8,10H2,1-3H3;4-6,8,10-11H,7,9H2,1-3H3,(H,23,24).

What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?

8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol has a molecular weight of 2369.67 g/mol, XLogP of 20.54, 34 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(1,5-dimethylpyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 159172940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).