5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine

C85H82N16O6S — CID 159650410

About 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine

5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 159650410) has the molecular formula C85H82N16O6S and a molecular weight of 1455.76 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine
• PubChem CID: 159650410
• Molecular Formula: C85H82N16O6S
• Molecular Weight: 1455.76 g/mol
• Exact Mass: 1454.63
• IUPAC Name: 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine
• SMILES: COc1ccccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cccc(CN(C)C)c2)c2nncn12.COc1ccccc1CCc1ccc(-c2cccnc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccnnc2)c2nncn12
• InChI: InChI=1S/C24H26N4O.C22H21N3O3S.C20H18N4O.C19H17N5O/c1-27(2)16-18-7-6-9-20(15-18)22-14-13-21(28-17-25-26-24(22)28)12-11-19-8-4-5-10-23(19)29-3;1-28-21-6-4-3-5-17(21)7-10-18-11-14-20(22-24-23-15-25(18)22)16-8-12-19(13-9-16)29(2,26)27;1-25-19-7-3-2-5-15(19)8-9-17-10-11-18(16-6-4-12-21-13-16)20-23-22-14-24(17)20;1-25-18-5-3-2-4-14(18)6-7-16-8-9-17(15-10-11-20-21-12-15)19-23-22-13-24(16)19/h4-10,13-15,17H,11-12,16H2,1-3H3;3-6,8-9,11-15H,7,10H2,1-2H3;2-7,10-14H,8-9H2,1H3;2-5,8-13H,6-7H2,1H3
• InChIKey: MRMLCIWPIPDBDZ-UHFFFAOYSA-N
• XLogP: 14.41
• TPSA: 233.73 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1455.76
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine (CID 159650410) is 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine is COc1ccccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cccc(CN(C)C)c2)c2nncn12.COc1ccccc1CCc1ccc(-c2cccnc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccnnc2)c2nncn12.

What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

The InChIKey is MRMLCIWPIPDBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C22H21N3O3S.C20H18N4O.C19H17N5O/c1-27(2)16-18-7-6-9-20(15-18)22-14-13-21(28-17-25-26-24(22)28)12-11-19-8-4-5-10-23(19)29-3;1-28-21-6-4-3-5-17(21)7-10-18-11-14-20(22-24-23-15-25(18)22)16-8-12-19(13-9-16)29(2,26)27;1-25-19-7-3-2-5-15(19)8-9-17-10-11-18(16-6-4-12-21-13-16)20-23-22-14-24(17)20;1-25-18-5-3-2-4-14(18)6-7-16-8-9-17(15-10-11-20-21-12-15)19-23-22-13-24(16)19/h4-10,13-15,17H,11-12,16H2,1-3H3;3-6,8-9,11-15H,7,10H2,1-2H3;2-7,10-14H,8-9H2,1H3;2-5,8-13H,6-7H2,1H3.

What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine?

5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 1455.76 g/mol, XLogP of 14.41, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridazin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 159650410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).