4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole

C122H109ClF4N22O12S — CID 158224293

About 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole

4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole (PubChem CID 158224293) has the molecular formula C122H109ClF4N22O12S and a molecular weight of 2218.87 g/mol. Its IUPAC name is 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole
• PubChem CID: 158224293
• Molecular Formula: C122H109ClF4N22O12S
• Molecular Weight: 2218.87 g/mol
• Exact Mass: 2216.79
• IUPAC Name: 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole
• SMILES: C.C.C.C.C.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Cc5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5cccc(F)c5)cn34)ccnc2c1
• InChI: InChI=1S/C25H19FN4O3.C24H18F2N4O2.C24H18FN5O3.C23H17ClN4O2.C21H17N5O2S.5CH4/c1-32-19-7-8-20-21(13-19)27-11-10-23(20)33-15-25-29-28-24-9-4-17(14-30(24)25)22(31)12-16-2-5-18(26)6-3-16;1-14-9-15(3-6-19(14)25)16-10-20(26)24-29-28-23(30(24)12-16)13-32-22-7-8-27-21-11-17(31-2)4-5-18(21)22;1-32-18-6-7-19-20(12-18)26-10-9-21(19)33-14-23-29-28-22-8-5-15(13-30(22)23)24(31)27-17-4-2-3-16(25)11-17;1-29-18-7-8-19-20(12-18)25-11-10-21(19)30-14-23-27-26-22-9-4-16(13-28(22)23)15-2-5-17(24)6-3-15;1-13-23-10-19(29-13)14-3-6-20-24-25-21(26(20)11-14)12-28-18-7-8-22-17-9-15(27-2)4-5-16(17)18;;;;;/h2-11,13-14H,12,15H2,1H3;3-12H,13H2,1-2H3;2-13H,14H2,1H3,(H,27,31);2-13H,14H2,1H3;3-11H,12H2,1-2H3;5*1H4
• InChIKey: GDPOHEVUPNPBTM-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 366.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.87
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole?

The IUPAC name of 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole (CID 158224293) is 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole.

What is the SMILES notation for 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole?

The canonical SMILES for 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole is C.C.C.C.C.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Cc5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5cccc(F)c5)cn34)ccnc2c1.

What is the InChIKey of 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole?

The InChIKey is GDPOHEVUPNPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3.C24H18F2N4O2.C24H18FN5O3.C23H17ClN4O2.C21H17N5O2S.5CH4/c1-32-19-7-8-20-21(13-19)27-11-10-23(20)33-15-25-29-28-24-9-4-17(14-30(24)25)22(31)12-16-2-5-18(26)6-3-16;1-14-9-15(3-6-19(14)25)16-10-20(26)24-29-28-23(30(24)12-16)13-32-22-7-8-27-21-11-17(31-2)4-5-18(21)22;1-32-18-6-7-19-20(12-18)26-10-9-21(19)33-14-23-29-28-22-8-5-15(13-30(22)23)24(31)27-17-4-2-3-16(25)11-17;1-29-18-7-8-19-20(12-18)25-11-10-21(19)30-14-23-27-26-22-9-4-16(13-28(22)23)15-2-5-17(24)6-3-15;1-13-23-10-19(29-13)14-3-6-20-24-25-21(26(20)11-14)12-28-18-7-8-22-17-9-15(27-2)4-5-16(17)18;;;;;/h2-11,13-14H,12,15H2,1H3;3-12H,13H2,1-2H3;2-13H,14H2,1H3,(H,27,31);2-13H,14H2,1H3;3-11H,12H2,1-2H3;5*1H4.

What are the key properties of 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole?

4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole has a molecular weight of 2218.87 g/mol, XLogP of 26.47, 28 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[8-fluoro-6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-(3-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-(4-fluorophenyl)-1-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]ethanone;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 158224293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).