8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C123H124ClFN25O7S+ — CID 158210362

About 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158210362) has the molecular formula C123H124ClFN25O7S+ and a molecular weight of 2151.03 g/mol. Its IUPAC name is 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 158210362
• Molecular Formula: C123H124ClFN25O7S+
• Molecular Weight: 2151.03 g/mol
• Exact Mass: 2148.95
• IUPAC Name: 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(C[N+]3=CCN=C3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3)c(Cl)c2)c2nncn12
• InChI: InChI=1S/C28H33N5O.C26H28ClN5O.C25H24N5O.C22H20FN3O3S.C22H19N7O/c1-21(2)31-16-18-32(19-17-31)24-11-8-22(9-12-24)26-15-14-25(33-20-29-30-28(26)33)13-10-23-6-4-5-7-27(23)34-3;1-30-13-15-31(16-14-30)24-12-8-20(17-23(24)27)22-11-10-21(32-18-28-29-26(22)32)9-7-19-5-3-4-6-25(19)33-2;1-31-24-5-3-2-4-21(24)10-11-22-12-13-23(25-28-27-18-30(22)25)20-8-6-19(7-9-20)16-29-15-14-26-17-29;1-29-21-5-3-4-20(23)19(21)13-9-16-8-12-18(22-25-24-14-26(16)22)15-6-10-17(11-7-15)30(2,27)28;1-30-20-5-3-2-4-16(20)10-11-18-12-13-19(22-26-23-14-29(18)22)15-6-8-17(9-7-15)21-24-27-28-25-21/h4-9,11-12,14-15,20-21H,10,13,16-19H2,1-3H3;3-6,8,10-12,17-18H,7,9,13-16H2,1-2H3;2-9,12-13,15,17-18H,10-11,14,16H2,1H3;3-8,10-12,14H,9,13H2,1-2H3;2-9,12-14H,10-11H2,1H3,(H,24,25,27,28)/q;;+1
• InChIKey: ISECUGOENWVJRH-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 314.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.03
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 158210362) is 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(-c3nn[nH]n3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(C[N+]3=CCN=C3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C(C)C)CC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(N3CCN(C)CC3)c(Cl)c2)c2nncn12.

What is the InChIKey of 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is ISECUGOENWVJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O.C26H28ClN5O.C25H24N5O.C22H20FN3O3S.C22H19N7O/c1-21(2)31-16-18-32(19-17-31)24-11-8-22(9-12-24)26-15-14-25(33-20-29-30-28(26)33)13-10-23-6-4-5-7-27(23)34-3;1-30-13-15-31(16-14-30)24-12-8-20(17-23(24)27)22-11-10-21(32-18-28-29-26(22)32)9-7-19-5-3-4-6-25(19)33-2;1-31-24-5-3-2-4-21(24)10-11-22-12-13-23(25-28-27-18-30(22)25)20-8-6-19(7-9-20)16-29-15-14-26-17-29;1-29-21-5-3-4-20(23)19(21)13-9-16-8-12-18(22-25-24-14-26(16)22)15-6-10-17(11-7-15)30(2,27)28;1-30-20-5-3-2-4-16(20)10-11-18-12-13-19(22-26-23-14-29(18)22)15-6-8-17(9-7-15)21-24-27-28-25-21/h4-9,11-12,14-15,20-21H,10,13,16-19H2,1-3H3;3-6,8,10-12,17-18H,7,9,13-16H2,1-2H3;2-9,12-13,15,17-18H,10-11,14,16H2,1H3;3-8,10-12,14H,9,13H2,1-2H3;2-9,12-14H,10-11H2,1H3,(H,24,25,27,28)/q;;+1;;.

What are the key properties of 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?

8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2151.03 g/mol, XLogP of 20.23, 32 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;8-[4-(4H-imidazol-1-ium-1-ylmethyl)phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158210362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).