8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide

C117H120ClF3N22O10S2 — CID 158885112

About 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide

8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide (PubChem CID 158885112) has the molecular formula C117H120ClF3N22O10S2 and a molecular weight of 2150.97 g/mol. Its IUPAC name is 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide
• PubChem CID: 158885112
• Molecular Formula: C117H120ClF3N22O10S2
• Molecular Weight: 2150.97 g/mol
• Exact Mass: 2148.86
• IUPAC Name: 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide
• SMILES: COc1cc(C)ccc1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)c(Cl)c2)c2nncn12.COc1cc(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)c(F)cc1C.COc1ccc(F)c(CCc2ccc(-c3ccncc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)NCCO)cc2)c2nncn12
• InChI: InChI=1S/C28H33ClN6O.C25H27FN4O.C23H24N4O4S.C21H19FN4O3S.C20H17FN4O/c1-19(2)33-11-13-34(14-12-33)28-25(29)16-22(17-30-28)24-10-9-23(35-18-31-32-27(24)35)8-7-21-6-5-20(3)15-26(21)36-4;1-17-13-23(26)20(14-24(17)31-4)9-10-21-11-12-22(25-28-27-16-30(21)25)19-7-5-18(6-8-19)15-29(2)3;1-31-22-5-3-2-4-18(22)6-9-19-10-13-21(23-26-24-16-27(19)23)17-7-11-20(12-8-17)32(29,30)25-14-15-28;1-29-20-4-2-3-19(22)18(20)12-8-15-7-11-17(21-25-24-13-26(15)21)14-5-9-16(10-6-14)30(23,27)28;1-26-17-5-7-19(21)15(12-17)2-3-16-4-6-18(14-8-10-22-11-9-14)20-24-23-13-25(16)20/h5-6,9-10,15-19H,7-8,11-14H2,1-4H3;5-8,11-14,16H,9-10,15H2,1-4H3;2-5,7-8,10-13,16,25,28H,6,9,14-15H2,1H3;2-7,9-11,13H,8,12H2,1H3,(H2,23,27,28);4-13H,2-3H2,1H3
• InChIKey: JDNLRNVNZNFDHR-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 359.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.97
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide (CID 158885112) is 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide.

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

The canonical SMILES for 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide is COc1cc(C)ccc1CCc1ccc(-c2cnc(N3CCN(C(C)C)CC3)c(Cl)c2)c2nncn12.COc1cc(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)c(F)cc1C.COc1ccc(F)c(CCc2ccc(-c3ccncc3)c3nncn23)c1.COc1cccc(F)c1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)NCCO)cc2)c2nncn12.

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

The InChIKey is JDNLRNVNZNFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN6O.C25H27FN4O.C23H24N4O4S.C21H19FN4O3S.C20H17FN4O/c1-19(2)33-11-13-34(14-12-33)28-25(29)16-22(17-30-28)24-10-9-23(35-18-31-32-27(24)35)8-7-21-6-5-20(3)15-26(21)36-4;1-17-13-23(26)20(14-24(17)31-4)9-10-21-11-12-22(25-28-27-16-30(21)25)19-7-5-18(6-8-19)15-29(2)3;1-31-22-5-3-2-4-18(22)6-9-19-10-13-21(23-26-24-16-27(19)23)17-7-11-20(12-8-17)32(29,30)25-14-15-28;1-29-20-4-2-3-19(22)18(20)12-8-15-7-11-17(21-25-24-13-26(15)21)14-5-9-16(10-6-14)30(23,27)28;1-26-17-5-7-19(21)15(12-17)2-3-16-4-6-18(14-8-10-22-11-9-14)20-24-23-13-25(16)20/h5-6,9-10,15-19H,7-8,11-14H2,1-4H3;5-8,11-14,16H,9-10,15H2,1-4H3;2-5,7-8,10-13,16,25,28H,6,9,14-15H2,1H3;2-7,9-11,13H,8,12H2,1H3,(H2,23,27,28);4-13H,2-3H2,1H3.

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

8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide has a molecular weight of 2150.97 g/mol, XLogP of 18.94, 34 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;1-[4-[5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;N-(2-hydroxyethyl)-4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide is sourced from PubChem (CID 158885112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).