8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C129H116F16N26O8 — CID 160808734

About 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol

8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 160808734) has the molecular formula C129H116F16N26O8 and a molecular weight of 2462.49 g/mol. Its IUPAC name is 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
• PubChem CID: 160808734
• Molecular Formula: C129H116F16N26O8
• Molecular Weight: 2462.49 g/mol
• Exact Mass: 2460.92
• IUPAC Name: 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
• SMILES: COc1cc(C)cc(F)c1CCc1ccc(-c2ccc(C)nc2C(F)F)c2nncn12.COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c(C)n1.COc1cccc(F)c1CCc1c(F)cc(-c2cccnc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(C)nc2C(F)F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C)nc2C(F)F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(CCO)nc2C(F)(F)F)c2nncn12
• InChI: InChI=1S/C23H21F3N4O.C22H19F3N4O.C22H21FN4O2.C21H19F4N5O2.C21H18F2N4O.C20H18F3N5O/c1-13-10-19(24)18(20(11-13)31-3)9-6-15-5-8-17(23-29-27-12-30(15)23)16-7-4-14(2)28-21(16)22(25)26;1-13-6-9-15(20(27-13)21(24)25)16-10-7-14(29-12-26-28-22(16)29)8-11-17-18(23)4-3-5-19(17)30-2;1-14-16(11-12-21(25-14)29-3)17-9-7-15(27-13-24-26-22(17)27)8-10-18-19(23)5-4-6-20(18)28-2;1-32-18-4-2-3-17(22)15(18)8-6-13-5-7-14(20-27-26-12-30(13)20)16-11-29(9-10-31)28-19(16)21(23,24)25;1-13-14(5-4-10-24-13)16-11-18(23)19(27-12-25-26-21(16)27)9-8-15-17(22)6-3-7-20(15)28-2;1-27-10-15(18(26-27)19(22)23)13-8-6-12(28-11-24-25-20(13)28)7-9-14-16(21)4-3-5-17(14)29-2/h4-5,7-8,10-12,22H,6,9H2,1-3H3;3-7,9-10,12,21H,8,11H2,1-2H3;4-7,9,11-13H,8,10H2,1-3H3;2-5,7,11-12,31H,6,8-10H2,1H3;3-7,10-12H,8-9H2,1-2H3;3-6,8,10-11,19H,7,9H2,1-2H3
• InChIKey: SEAQTCICHLFFKG-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 353.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2462.49
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?

The IUPAC name of 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 160808734) is 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

What is the SMILES notation for 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?

The canonical SMILES for 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is COc1cc(C)cc(F)c1CCc1ccc(-c2ccc(C)nc2C(F)F)c2nncn12.COc1ccc(-c2ccc(CCc3c(F)cccc3OC)n3cnnc23)c(C)n1.COc1cccc(F)c1CCc1c(F)cc(-c2cccnc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2ccc(C)nc2C(F)F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C)nc2C(F)F)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(CCO)nc2C(F)(F)F)c2nncn12.

What is the InChIKey of 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?

The InChIKey is SEAQTCICHLFFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O.C22H19F3N4O.C22H21FN4O2.C21H19F4N5O2.C21H18F2N4O.C20H18F3N5O/c1-13-10-19(24)18(20(11-13)31-3)9-6-15-5-8-17(23-29-27-12-30(15)23)16-7-4-14(2)28-21(16)22(25)26;1-13-6-9-15(20(27-13)21(24)25)16-10-7-14(29-12-26-28-22(16)29)8-11-17-18(23)4-3-5-19(17)30-2;1-14-16(11-12-21(25-14)29-3)17-9-7-15(27-13-24-26-22(17)27)8-10-18-19(23)5-4-6-20(18)28-2;1-32-18-4-2-3-17(22)15(18)8-6-13-5-7-14(20-27-26-12-30(13)20)16-11-29(9-10-31)28-19(16)21(23,24)25;1-13-14(5-4-10-24-13)16-11-18(23)19(27-12-25-26-21(16)27)9-8-15-17(22)6-3-7-20(15)28-2;1-27-10-15(18(26-27)19(22)23)13-8-6-12(28-11-24-25-20(13)28)7-9-14-16(21)4-3-5-17(14)29-2/h4-5,7-8,10-12,22H,6,9H2,1-3H3;3-7,9-10,12,21H,8,11H2,1-2H3;4-7,9,11-13H,8,10H2,1-3H3;2-5,7,11-12,31H,6,8-10H2,1H3;3-7,10-12H,8-9H2,1-2H3;3-6,8,10-11,19H,7,9H2,1-2H3.

What are the key properties of 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol?

8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 2462.49 g/mol, XLogP of 26.00, 36 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 160808734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).