N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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

C118H95ClF2N24O11 — CID 159796423

About N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 159796423) has the molecular formula C118H95ClF2N24O11 and a molecular weight of 2098.66 g/mol. Its IUPAC name is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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: 159796423
• Molecular Formula: C118H95ClF2N24O11
• Molecular Weight: 2098.66 g/mol
• Exact Mass: 2096.73
• IUPAC Name: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccccc5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1
• InChI: InChI=1S/C25H22N4O3.C24H19FN4O3.C24H19N5O3.C23H17ClFN5O.C22H18N6O/c1-16-12-17(4-8-22(16)31-3)18-5-9-24-27-28-25(29(24)14-18)15-32-23-10-11-26-21-13-19(30-2)6-7-20(21)23;1-30-17-5-6-18-20(12-17)26-10-9-21(18)32-14-24-28-27-23-8-4-16(13-29(23)24)15-3-7-22(31-2)19(25)11-15;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;1-31-16-4-5-17-20(8-9-26-21(17)11-16)27-12-23-29-28-22-7-3-15(13-30(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/h4-14H,15H2,1-3H3;3-13H,14H2,1-2H3;2-14H,15H2,1H3,(H,26,30);2-11,13H,12H2,1H3,(H,26,27);2-12,14H,13H2,1H3,(H,23,24)
• InChIKey: NJFPOSZNHOVUIM-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 373.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.66
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 159796423) is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(C)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C(=O)Nc5ccccc5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1.

What is the InChIKey of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 NJFPOSZNHOVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3.C24H19FN4O3.C24H19N5O3.C23H17ClFN5O.C22H18N6O/c1-16-12-17(4-8-22(16)31-3)18-5-9-24-27-28-25(29(24)14-18)15-32-23-10-11-26-21-13-19(30-2)6-7-20(21)23;1-30-17-5-6-18-20(12-17)26-10-9-21(18)32-14-24-28-27-23-8-4-16(13-29(23)24)15-3-7-22(31-2)19(25)11-15;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;1-31-16-4-5-17-20(8-9-26-21(17)11-16)27-12-23-29-28-22-7-3-15(13-30(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/h4-14H,15H2,1-3H3;3-13H,14H2,1-2H3;2-14H,15H2,1H3,(H,26,30);2-11,13H,12H2,1H3,(H,26,27);2-12,14H,13H2,1H3,(H,23,24).

What are the key properties of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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?

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 2098.66 g/mol, XLogP of 22.96, 28 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxyquinolin-4-amine;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;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 159796423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).