4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline

C117H122FN19O11S3 — CID 159548468

About 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline

4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline (PubChem CID 159548468) has the molecular formula C117H122FN19O11S3 and a molecular weight of 2085.58 g/mol. Its IUPAC name is 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline.

Molecular Properties

• Compound Name: 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline
• PubChem CID: 159548468
• Molecular Formula: C117H122FN19O11S3
• Molecular Weight: 2085.58 g/mol
• Exact Mass: 2083.87
• IUPAC Name: 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline
• SMILES: COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(CN(C)C)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(NC(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(NS(C)(=O)=O)cc2)c2nncn12
• InChI: InChI=1S/C25H28N4O.C24H26N4O.C23H23FN4O3S.C23H23N3O3S.C22H22N4O3S/c1-18-5-14-24(30-4)21(15-18)10-11-22-12-13-23(25-27-26-17-29(22)25)20-8-6-19(7-9-20)16-28(2)3;1-17(2)26-20-11-8-18(9-12-20)22-15-14-21(28-16-25-27-24(22)28)13-10-19-6-4-5-7-23(19)29-3;1-27(2)32(29,30)18-11-7-16(8-12-18)19-13-9-17(28-15-25-26-23(19)28)10-14-20-21(24)5-4-6-22(20)31-3;1-16-4-5-18(22(14-16)29-2)6-9-19-10-13-21(23-25-24-15-26(19)23)17-7-11-20(12-8-17)30(3,27)28;1-29-21-6-4-3-5-17(21)9-12-19-13-14-20(22-24-23-15-26(19)22)16-7-10-18(11-8-16)25-30(2,27)28/h5-9,12-15,17H,10-11,16H2,1-4H3;4-9,11-12,14-17,26H,10,13H2,1-3H3;4-9,11-13,15H,10,14H2,1-3H3;4-5,7-8,10-15H,6,9H2,1-3H3;3-8,10-11,13-15,25H,9,12H2,1-2H3
• InChIKey: MFBZWOHJHNBZOD-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 330.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.58
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline?

The IUPAC name of 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline (CID 159548468) is 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline.

What is the SMILES notation for 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline?

The canonical SMILES for 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline is COc1cc(C)ccc1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(C)cc1CCc1ccc(-c2ccc(CN(C)C)cc2)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(NC(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(NS(C)(=O)=O)cc2)c2nncn12.

What is the InChIKey of 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline?

The InChIKey is MFBZWOHJHNBZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.C24H26N4O.C23H23FN4O3S.C23H23N3O3S.C22H22N4O3S/c1-18-5-14-24(30-4)21(15-18)10-11-22-12-13-23(25-27-26-17-29(22)25)20-8-6-19(7-9-20)16-28(2)3;1-17(2)26-20-11-8-18(9-12-20)22-15-14-21(28-16-25-27-24(22)28)13-10-19-6-4-5-7-23(19)29-3;1-27(2)32(29,30)18-11-7-16(8-12-18)19-13-9-17(28-15-25-26-23(19)28)10-14-20-21(24)5-4-6-22(20)31-3;1-16-4-5-18(22(14-16)29-2)6-9-19-10-13-21(23-25-24-15-26(19)23)17-7-11-20(12-8-17)30(3,27)28;1-29-21-6-4-3-5-17(21)9-12-19-13-14-20(22-24-23-15-26(19)22)16-7-10-18(11-8-16)25-30(2,27)28/h5-9,12-15,17H,10-11,16H2,1-4H3;4-9,11-12,14-17,26H,10,13H2,1-3H3;4-9,11-13,15H,10,14H2,1-3H3;4-5,7-8,10-15H,6,9H2,1-3H3;3-8,10-11,13-15,25H,9,12H2,1-2H3.

What are the key properties of 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline?

4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline has a molecular weight of 2085.58 g/mol, XLogP of 20.61, 34 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N-dimethylbenzenesulfonamide;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;N-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanesulfonamide;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-propan-2-ylaniline is sourced from PubChem (CID 159548468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).