4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C117H89ClF3N25O12 — CID 159276981

About 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 159276981) has the molecular formula C117H89ClF3N25O12 and a molecular weight of 2129.61 g/mol. Its IUPAC name is 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 159276981
• Molecular Formula: C117H89ClF3N25O12
• Molecular Weight: 2129.61 g/mol
• Exact Mass: 2127.68
• IUPAC Name: 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5cccc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccccc5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1
• InChI: InChI=1S/2C24H18FN5O3.C24H19N5O3.C23H16ClFN4O2.C22H18N6O/c1-32-18-7-8-19-20(12-18)26-11-10-21(19)33-14-23-29-28-22-9-2-15(13-30(22)23)24(31)27-17-5-3-16(25)4-6-17;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;1-31-18-8-9-19-20(13-18)25-12-11-21(19)32-15-23-28-27-22-10-7-16(14-29(22)23)24(30)26-17-5-3-2-4-6-17;1-30-16-4-5-17-20(11-16)26-9-8-21(17)31-13-23-28-27-22-7-3-15(12-29(22)23)14-2-6-19(25)18(24)10-14;1-29-17-11-19-22(25-12-17)18(9-10-23-19)24-13-21-27-26-20-8-7-16(14-28(20)21)15-5-3-2-4-6-15/h2*2-13H,14H2,1H3,(H,27,31);2-14H,15H2,1H3,(H,26,30);2-12H,13H2,1H3;2-12,14H,13H2,1H3,(H,23,24)
• InChIKey: KYKXKCYAVALYPI-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 410.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.61
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 159276981) is 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccc(F)cc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5cccc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccccc5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1.

What is the InChIKey of 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is KYKXKCYAVALYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18FN5O3.C24H19N5O3.C23H16ClFN4O2.C22H18N6O/c1-32-18-7-8-19-20(12-18)26-11-10-21(19)33-14-23-29-28-22-9-2-15(13-30(22)23)24(31)27-17-5-3-16(25)4-6-17;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;1-31-18-8-9-19-20(13-18)25-12-11-21(19)32-15-23-28-27-22-10-7-16(14-29(22)23)24(30)26-17-5-3-2-4-6-17;1-30-16-4-5-17-20(11-16)26-9-8-21(17)31-13-23-28-27-22-7-3-15(12-29(22)23)14-2-6-19(25)18(24)10-14;1-29-17-11-19-22(25-12-17)18(9-10-23-19)24-13-21-27-26-20-8-7-16(14-28(20)21)15-5-3-2-4-6-15/h2*2-13H,14H2,1H3,(H,27,31);2-14H,15H2,1H3,(H,26,30);2-12H,13H2,1H3;2-12,14H,13H2,1H3,(H,23,24).

What are the key properties of 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 2129.61 g/mol, XLogP of 21.92, 28 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(3-chloro-4-fluorophenyl)-[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;N-(4-fluorophenyl)-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,5-naphthyridin-4-amine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 159276981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).