4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole

C112H103ClF5N25O10S2 — CID 161185892

About 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (PubChem CID 161185892) has the molecular formula C112H103ClF5N25O10S2 and a molecular weight of 2153.80 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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• PubChem CID: 161185892
• Molecular Formula: C112H103ClF5N25O10S2
• Molecular Weight: 2153.80 g/mol
• Exact Mass: 2151.74
• IUPAC Name: 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
• SMILES: C.C.C.C.C.CNCCNC(=O)c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cscn5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5ccc(F)c(F)c5)cn34)ccnc2c1
• InChI: InChI=1S/C23H16F2N4O2.C22H15F3N6O.C21H15ClN4O2S.C21H22N6O3.C20H15N5O2S.5CH4/c1-30-17-6-7-18-20(11-17)26-9-8-21(18)31-13-22-27-28-23-19(25)10-15(12-29(22)23)14-2-4-16(24)5-3-14;1-32-14-8-19-21(28-9-14)18(4-5-26-19)27-10-20-29-30-22-17(25)7-13(11-31(20)22)12-2-3-15(23)16(24)6-12;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;1-22-9-10-24-21(28)14-3-6-19-25-26-20(27(19)12-14)13-30-18-7-8-23-17-11-15(29-2)4-5-16(17)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;;;;;/h2-12H,13H2,1H3;2-9,11H,10H2,1H3,(H,26,27);2-11H,12H2,1H3;3-8,11-12,22H,9-10,13H2,1-2H3,(H,24,28);2-9,11-12H,10H2,1H3;5*1H4
• InChIKey: UTBOQUUJNODBST-UHFFFAOYSA-N
• XLogP: 23.42
• TPSA: 377.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.80
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole (CID 161185892) is 4-[[6-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole is C.C.C.C.C.CNCCNC(=O)c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cscn5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5ccc(F)c(F)c5)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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole?

The InChIKey is UTBOQUUJNODBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2.C22H15F3N6O.C21H15ClN4O2S.C21H22N6O3.C20H15N5O2S.5CH4/c1-30-17-6-7-18-20(11-17)26-9-8-21(18)31-13-22-27-28-23-19(25)10-15(12-29(22)23)14-2-4-16(24)5-3-14;1-32-14-8-19-21(28-9-14)18(4-5-26-19)27-10-20-29-30-22-17(25)7-13(11-31(20)22)12-2-3-15(23)16(24)6-12;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;1-22-9-10-24-21(28)14-3-6-19-25-26-20(27(19)12-14)13-30-18-7-8-23-17-11-15(29-2)4-5-16(17)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;;;;;/h2-12H,13H2,1H3;2-9,11H,10H2,1H3,(H,26,27);2-11H,12H2,1H3;3-8,11-12,22H,9-10,13H2,1-2H3,(H,24,28);2-9,11-12H,10H2,1H3;5*1H4.

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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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 2153.80 g/mol, XLogP of 23.42, 28 rotatable bonds, 3 hydrogen bond donors, and 36 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;N-[[6-(3,4-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;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 161185892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).