5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

C118H119F3N20O13S4 — CID 159364887

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159364887) has the molecular formula C118H119F3N20O13S4 and a molecular weight of 2210.64 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 159364887
• Molecular Formula: C118H119F3N20O13S4
• Molecular Weight: 2210.64 g/mol
• Exact Mass: 2208.81
• IUPAC Name: 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1c(F)cccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12
• InChI: InChI=1S/C28H32N4O3S.C27H29FN4O3S.C22H22N4O3S.C21H19FN4O3S.C20H17FN4O/c1-20-4-13-27(35-3)22(18-20)5-8-23-9-12-26(28-30-29-19-32(23)28)21-6-10-24(11-7-21)36(33,34)25-14-16-31(2)17-15-25;1-31-16-14-22(15-17-31)36(33,34)21-10-6-19(7-11-21)23-12-8-20(32-18-29-30-27(23)32)9-13-24-25(28)4-3-5-26(24)35-2;1-15-4-5-16(20(12-15)29-2)6-8-18-9-10-19(22-25-24-14-26(18)22)17-7-11-21(23-13-17)30(3,27)28;1-29-20-14(4-3-5-18(20)22)6-8-16-9-10-17(21-25-24-13-26(16)21)15-7-11-19(23-12-15)30(2,27)28;1-26-19-15(3-2-4-18(19)21)5-6-16-7-8-17(14-9-11-22-12-10-14)20-24-23-13-25(16)20/h4,6-7,9-13,18-19,25H,5,8,14-17H2,1-3H3;3-8,10-12,18,22H,9,13-17H2,1-2H3;4-5,7,9-14H,6,8H2,1-3H3;3-5,7,9-13H,6,8H2,1-2H3;2-4,7-13H,5-6H2,1H3
• InChIKey: LIZRRDGRGXWPCO-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 378.81 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.64
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 159364887) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1c(F)cccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1c(F)cccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)C3CCN(C)CC3)cc2)c2nncn12.

What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is LIZRRDGRGXWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S.C27H29FN4O3S.C22H22N4O3S.C21H19FN4O3S.C20H17FN4O/c1-20-4-13-27(35-3)22(18-20)5-8-23-9-12-26(28-30-29-19-32(23)28)21-6-10-24(11-7-21)36(33,34)25-14-16-31(2)17-15-25;1-31-16-14-22(15-17-31)36(33,34)21-10-6-19(7-11-21)23-12-8-20(32-18-29-30-27(23)32)9-13-24-25(28)4-3-5-26(24)35-2;1-15-4-5-16(20(12-15)29-2)6-8-18-9-10-19(22-25-24-14-26(18)22)17-7-11-21(23-13-17)30(3,27)28;1-29-20-14(4-3-5-18(20)22)6-8-16-9-10-17(21-25-24-13-26(16)21)15-7-11-19(23-12-15)30(2,27)28;1-26-19-15(3-2-4-18(19)21)5-6-16-7-8-17(14-9-11-22-12-10-14)20-24-23-13-25(16)20/h4,6-7,9-13,18-19,25H,5,8,14-17H2,1-3H3;3-8,10-12,18,22H,9,13-17H2,1-2H3;4-5,7,9-14H,6,8H2,1-3H3;3-5,7,9-13H,6,8H2,1-2H3;2-4,7-13H,5-6H2,1H3.

What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2210.64 g/mol, XLogP of 18.71, 31 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(3-fluoro-2-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-5-methylphenyl)ethyl]-8-[4-(1-methylpiperidin-4-yl)sulfonylphenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159364887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).