1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C112H111F2N21O10S — CID 159936515

About 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159936515) has the molecular formula C112H111F2N21O10S and a molecular weight of 1981.32 g/mol. Its IUPAC name is 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 159936515
• Molecular Formula: C112H111F2N21O10S
• Molecular Weight: 1981.32 g/mol
• Exact Mass: 1979.85
• IUPAC Name: 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COc1ccc(F)c(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)c1.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cnc(OC)c(F)c2)c2nncn12.COc1cncc(-c2ccc(CCc3ccccc3OC)n3cnnc23)c1.COc1ncc(-c2ccc(CCc3ccccc3OC)n3cnnc23)cn1
• InChI: InChI=1S/C26H28N4O3S.C24H25FN4O.C21H19FN4O2.C21H20N4O2.C20H19N5O2/c1-33-25-5-3-2-4-20(25)6-9-21-10-13-24(26-29-28-18-30(21)26)19-7-11-22(12-8-19)34(31,32)23-14-16-27-17-15-23;1-28(2)15-17-4-6-18(7-5-17)22-12-10-20(29-16-26-27-24(22)29)9-8-19-14-21(30-3)11-13-23(19)25;1-27-19-6-4-3-5-14(19)7-8-16-9-10-17(20-25-24-13-26(16)20)15-11-18(22)21(28-2)23-12-15;1-26-18-11-16(12-22-13-18)19-10-9-17(25-14-23-24-21(19)25)8-7-15-5-3-4-6-20(15)27-2;1-26-18-6-4-3-5-14(18)7-8-16-9-10-17(19-24-23-13-25(16)19)15-11-21-20(27-2)22-12-15/h2-5,7-8,10-13,18,23,27H,6,9,14-17H2,1H3;4-7,10-14,16H,8-9,15H2,1-3H3;3-6,9-13H,7-8H2,1-2H3;3-6,9-14H,7-8H2,1-2H3;3-6,9-13H,7-8H2,1-2H3
• InChIKey: OAHYKMCYYTVMKI-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 325.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1981.32
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 159936515) is 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(F)c(CCc2ccc(-c3ccc(CN(C)C)cc3)c3nncn23)c1.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)C3CCNCC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cnc(OC)c(F)c2)c2nncn12.COc1cncc(-c2ccc(CCc3ccccc3OC)n3cnnc23)c1.COc1ncc(-c2ccc(CCc3ccccc3OC)n3cnnc23)cn1.

What is the InChIKey of 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is OAHYKMCYYTVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S.C24H25FN4O.C21H19FN4O2.C21H20N4O2.C20H19N5O2/c1-33-25-5-3-2-4-20(25)6-9-21-10-13-24(26-29-28-18-30(21)26)19-7-11-22(12-8-19)34(31,32)23-14-16-27-17-15-23;1-28(2)15-17-4-6-18(7-5-17)22-12-10-20(29-16-26-27-24(22)29)9-8-19-14-21(30-3)11-13-23(19)25;1-27-19-6-4-3-5-14(19)7-8-16-9-10-17(20-25-24-13-26(16)20)15-11-18(22)21(28-2)23-12-15;1-26-18-11-16(12-22-13-18)19-10-9-17(25-14-23-24-21(19)25)8-7-15-5-3-4-6-20(15)27-2;1-26-18-6-4-3-5-14(18)7-8-16-9-10-17(19-24-23-13-25(16)19)15-11-21-20(27-2)22-12-15/h2-5,7-8,10-13,18,23,27H,6,9,14-17H2,1H3;4-7,10-14,16H,8-9,15H2,1-3H3;3-6,9-13H,7-8H2,1-2H3;3-6,9-14H,7-8H2,1-2H3;3-6,9-13H,7-8H2,1-2H3.

What are the key properties of 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?

1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1981.32 g/mol, XLogP of 18.42, 32 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-[2-(2-fluoro-5-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-N,N-dimethylmethanamine;8-(5-fluoro-6-methoxy-3-pyridinyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-piperidin-4-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159936515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).