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

C115H86ClF7N24O8 — CID 159604071

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

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (PubChem CID 159604071) has the molecular formula C115H86ClF7N24O8 and a molecular weight of 2100.55 g/mol. Its IUPAC name is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
• PubChem CID: 159604071
• Molecular Formula: C115H86ClF7N24O8
• Molecular Weight: 2100.55 g/mol
• Exact Mass: 2098.66
• IUPAC Name: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
• SMILES: COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)cn34)ccnc2c1
• InChI: InChI=1S/2C24H19FN4O2.C23H15F3N4O2.C22H16ClFN6O.C22H17FN6O/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;1-31-15-9-19-22(27-10-15)18(6-7-25-19)26-11-21-29-28-20-5-3-14(12-30(20)21)13-2-4-17(24)16(23)8-13;1-30-17-10-19-22(26-11-17)18(7-8-24-19)25-12-21-28-27-20-6-5-15(13-29(20)21)14-3-2-4-16(23)9-14/h2*3-13H,14H2,1-2H3;2-11H,12H2,1H3;2-10,12H,11H2,1H3,(H,25,26);2-11,13H,12H2,1H3,(H,24,25)
• InChIKey: MLVUJNNVWUCGHH-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 339.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.55
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine (CID 159604071) is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine.

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

The canonical SMILES for N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(F)c5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(C)c5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)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-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine?

The InChIKey is MLVUJNNVWUCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19FN4O2.C23H15F3N4O2.C22H16ClFN6O.C22H17FN6O/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;1-31-15-9-19-22(27-10-15)18(6-7-25-19)26-11-21-29-28-20-5-3-14(12-30(20)21)13-2-4-17(24)16(23)8-13;1-30-17-10-19-22(26-11-17)18(7-8-24-19)25-12-21-28-27-20-6-5-15(13-29(20)21)14-3-2-4-16(23)9-14/h2*3-13H,14H2,1-2H3;2-11H,12H2,1H3;2-10,12H,11H2,1H3,(H,25,26);2-11,13H,12H2,1H3,(H,24,25).

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

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine has a molecular weight of 2100.55 g/mol, XLogP of 23.76, 25 rotatable bonds, 2 hydrogen bond donors, and 32 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-methoxy-1,5-naphthyridin-4-amine;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;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine is sourced from PubChem (CID 159604071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).