5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

C108H100F6N20O10S — CID 158430221

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (PubChem CID 158430221) has the molecular formula C108H100F6N20O10S and a molecular weight of 1984.17 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
• PubChem CID: 158430221
• Molecular Formula: C108H100F6N20O10S
• Molecular Weight: 1984.17 g/mol
• Exact Mass: 1982.76
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
• SMILES: COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)cn1.COc1cccc(F)c1CCc1ccc(-c2ccc(N(C)C)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cccnc2OC)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(CCO)c2)c2nncn12
• InChI: InChI=1S/C22H19F2N3O3S.C22H22FN5O.C22H21FN4O2.2C21H19FN4O2/c1-30-21-5-3-4-19(23)18(21)10-7-14-6-9-17(22-26-25-13-27(14)22)16-11-8-15(12-20(16)24)31(2,28)29;1-27(2)21-12-7-15(13-24-21)17-10-8-16(28-14-25-26-22(17)28)9-11-18-19(23)5-4-6-20(18)29-3;1-29-21-4-2-3-20(23)19(21)8-6-17-5-7-18(22-26-25-14-27(17)22)15-9-11-24-16(13-15)10-12-28;1-27-19-7-3-6-18(22)17(19)11-9-14-8-10-15(20-25-24-13-26(14)20)16-5-4-12-23-21(16)28-2;1-27-19-5-3-4-18(22)17(19)10-8-15-7-9-16(21-25-24-13-26(15)21)14-6-11-20(28-2)23-12-14/h3-6,8-9,11-13H,7,10H2,1-2H3;4-8,10,12-14H,9,11H2,1-3H3;2-5,7,9,11,13-14,28H,6,8,10,12H2,1H3;3-8,10,12-13H,9,11H2,1-2H3;3-7,9,11-13H,8,10H2,1-2H3
• InChIKey: HBOIGIZZPUUDCW-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 324.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.17
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (CID 158430221) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[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 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol is COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)cn1.COc1cccc(F)c1CCc1ccc(-c2ccc(N(C)C)nc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cccnc2OC)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccnc(CCO)c2)c2nncn12.

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

The InChIKey is HBOIGIZZPUUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S.C22H22FN5O.C22H21FN4O2.2C21H19FN4O2/c1-30-21-5-3-4-19(23)18(21)10-7-14-6-9-17(22-26-25-13-27(14)22)16-11-8-15(12-20(16)24)31(2,28)29;1-27(2)21-12-7-15(13-24-21)17-10-8-16(28-14-25-26-22(17)28)9-11-18-19(23)5-4-6-20(18)29-3;1-29-21-4-2-3-20(23)19(21)8-6-17-5-7-18(22-26-25-14-27(17)22)15-9-11-24-16(13-15)10-12-28;1-27-19-7-3-6-18(22)17(19)11-9-14-8-10-15(20-25-24-13-26(14)20)16-5-4-12-23-21(16)28-2;1-27-19-5-3-4-18(22)17(19)10-8-15-7-9-16(21-25-24-13-26(15)21)14-6-11-20(28-2)23-12-14/h3-6,8-9,11-13H,7,10H2,1-2H3;4-8,10,12-14H,9,11H2,1-3H3;2-5,7,9,11,13-14,28H,6,8,10,12H2,1H3;3-8,10,12-13H,9,11H2,1-2H3;3-7,9,11-13H,8,10H2,1-2H3.

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

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[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 1984.17 g/mol, XLogP of 18.39, 31 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-fluoro-4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylpyridin-2-amine;2-[4-[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 158430221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).