4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole

C112H83ClF5N21O10S2 — CID 159473575

About 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole

4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (PubChem CID 159473575) has the molecular formula C112H83ClF5N21O10S2 and a molecular weight of 2077.61 g/mol. Its IUPAC name is 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• PubChem CID: 159473575
• Molecular Formula: C112H83ClF5N21O10S2
• Molecular Weight: 2077.61 g/mol
• Exact Mass: 2075.57
• IUPAC Name: 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• SMILES: COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cscn5)cn34)ccnc2c1
• InChI: InChI=1S/2C24H19FN4O2.C23H15F3N4O2.C21H15ClN4O2S.C20H15N5O2S/c1-15-11-16(3-7-20(15)25)17-4-8-23-27-28-24(29(23)13-17)14-31-22-9-10-26-21-12-18(30-2)5-6-19(21)22;1-15-3-4-16(11-20(15)25)17-5-8-23-27-28-24(29(23)13-17)14-31-22-9-10-26-21-12-18(30-2)6-7-19(21)22;1-31-17-2-3-18-20(10-17)27-5-4-21(18)32-12-22-28-29-23-19(26)8-14(11-30(22)23)13-6-15(24)9-16(25)7-13;1-27-14-3-4-15-16(10-14)23-9-8-17(15)28-12-21-25-24-20-7-2-13(11-26(20)21)18-5-6-19(22)29-18;1-26-14-3-4-15-16(8-14)21-7-6-18(15)27-10-20-24-23-19-5-2-13(9-25(19)20)17-11-28-12-22-17/h2*3-13H,14H2,1-2H3;2-11H,12H2,1H3;2-11H,12H2,1H3;2-9,11-12H,10H2,1H3
• InChIKey: LWCFLDNUAXWSLG-UHFFFAOYSA-N
• XLogP: 24.14
• TPSA: 320.59 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.61
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The IUPAC name of 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (CID 159473575) is 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole.

What is the SMILES notation for 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The canonical SMILES for 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole is COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cscn5)cn34)ccnc2c1.

What is the InChIKey of 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The InChIKey is LWCFLDNUAXWSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19FN4O2.C23H15F3N4O2.C21H15ClN4O2S.C20H15N5O2S/c1-15-11-16(3-7-20(15)25)17-4-8-23-27-28-24(29(23)13-17)14-31-22-9-10-26-21-12-18(30-2)5-6-19(21)22;1-15-3-4-16(11-20(15)25)17-5-8-23-27-28-24(29(23)13-17)14-31-22-9-10-26-21-12-18(30-2)6-7-19(21)22;1-31-17-2-3-18-20(10-17)27-5-4-21(18)32-12-22-28-29-23-19(26)8-14(11-30(22)23)13-6-15(24)9-16(25)7-13;1-27-14-3-4-15-16(10-14)23-9-8-17(15)28-12-21-25-24-20-7-2-13(11-26(20)21)18-5-6-19(22)29-18;1-26-14-3-4-15-16(8-14)21-7-6-18(15)27-10-20-24-23-19-5-2-13(9-25(19)20)17-11-28-12-22-17/h2*3-13H,14H2,1-2H3;2-11H,12H2,1H3;2-11H,12H2,1H3;2-9,11-12H,10H2,1H3.

What are the key properties of 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole has a molecular weight of 2077.61 g/mol, XLogP of 24.14, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole is sourced from PubChem (CID 159473575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).