5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

C93H95F3N18O6S — CID 161176058

About 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161176058) has the molecular formula C93H95F3N18O6S and a molecular weight of 1649.96 g/mol. Its IUPAC name is 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 161176058
• Molecular Formula: C93H95F3N18O6S
• Molecular Weight: 1649.96 g/mol
• Exact Mass: 1648.74
• IUPAC Name: 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1cc(C)ccc1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)c(C(F)(F)F)c2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccnc(C)c2)c2nncn12
• InChI: InChI=1S/C29H33F3N6O.C22H22N4O3S.2C21H20N4O/c1-19(2)36-11-13-37(14-12-36)28-25(29(30,31)32)16-22(17-33-28)24-10-9-23(38-18-34-35-27(24)38)8-7-21-6-5-20(3)15-26(21)39-4;1-15-3-4-17(21(13-15)29-2)5-8-18-9-12-20(22-25-24-14-26(18)22)16-6-10-19(11-7-16)30(23,27)28;1-15-3-4-17(20(13-15)26-2)5-6-18-7-8-19(16-9-11-22-12-10-16)21-24-23-14-25(18)21;1-15-13-17(11-12-22-15)19-10-9-18(25-14-23-24-21(19)25)8-7-16-5-3-4-6-20(16)26-2/h5-6,9-10,15-19H,7-8,11-14H2,1-4H3;3-4,6-7,9-14H,5,8H2,1-2H3,(H2,23,27,28);3-4,7-14H,5-6H2,1-2H3;3-6,9-14H,7-8H2,1-2H3
• InChIKey: URVDLDNZGJEQOB-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 262.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1649.96
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 161176058) is 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(C)ccc1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2ccncc2)c2nncn12.COc1cc(C)ccc1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)c(C(F)(F)F)c2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccnc(C)c2)c2nncn12.

What is the InChIKey of 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is URVDLDNZGJEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O.C22H22N4O3S.2C21H20N4O/c1-19(2)36-11-13-37(14-12-36)28-25(29(30,31)32)16-22(17-33-28)24-10-9-23(38-18-34-35-27(24)38)8-7-21-6-5-20(3)15-26(21)39-4;1-15-3-4-17(21(13-15)29-2)5-8-18-9-12-20(22-25-24-14-26(18)22)16-6-10-19(11-7-16)30(23,27)28;1-15-3-4-17(20(13-15)26-2)5-6-18-7-8-19(16-9-11-22-12-10-16)21-24-23-14-25(18)21;1-15-13-17(11-12-22-15)19-10-9-18(25-14-23-24-21(19)25)8-7-16-5-3-4-6-20(16)26-2/h5-6,9-10,15-19H,7-8,11-14H2,1-4H3;3-4,6-7,9-14H,5,8H2,1-2H3,(H2,23,27,28);3-4,7-14H,5-6H2,1-2H3;3-6,9-14H,7-8H2,1-2H3.

What are the key properties of 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?

5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1649.96 g/mol, XLogP of 16.38, 23 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161176058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).