6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C113H84F6N18O11S — CID 161127411

About 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 161127411) has the molecular formula C113H84F6N18O11S and a molecular weight of 2016.08 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• PubChem CID: 161127411
• Molecular Formula: C113H84F6N18O11S
• Molecular Weight: 2016.08 g/mol
• Exact Mass: 2014.62
• IUPAC Name: 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cs5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(F)c5)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC(F)(F)F)c5)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5F)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(C#N)cn34)ccnc2c1
• InChI: InChI=1S/C25H18F3N3O3.C24H17F2N3O2.C24H18FN3O2.C22H18N4O2S.C18H13N5O2/c1-32-19-9-10-21-17(13-19)5-3-7-22(21)33-15-24-30-29-23-11-8-18(14-31(23)24)16-4-2-6-20(12-16)34-25(26,27)28;1-30-18-7-8-19-16(11-18)3-2-4-22(19)31-14-24-28-27-23-10-6-17(13-29(23)24)15-5-9-20(25)21(26)12-15;1-29-18-10-11-20-16(13-18)5-4-8-22(20)30-15-24-27-26-23-12-9-17(14-28(23)24)19-6-2-3-7-21(19)25;1-14-9-20(29-13-14)15-3-6-21-24-25-22(26(21)11-15)12-28-19-7-8-23-18-10-16(27-2)4-5-17(18)19;1-24-13-3-4-14-15(8-13)20-7-6-16(14)25-11-18-22-21-17-5-2-12(9-19)10-23(17)18/h2-14H,15H2,1H3;2-13H,14H2,1H3;2-14H,15H2,1H3;3-11,13H,12H2,1-2H3;2-8,10H,11H2,1H3
• InChIKey: ULSXOLWRCIDDOA-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 302.05 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.08
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The IUPAC name of 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 161127411) is 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

What is the SMILES notation for 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The canonical SMILES for 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cs5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(F)c(F)c5)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC(F)(F)F)c5)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5F)cn34)cccc2c1.COc1ccc2c(OCc3nnc4ccc(C#N)cn34)ccnc2c1.

What is the InChIKey of 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

The InChIKey is ULSXOLWRCIDDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O3.C24H17F2N3O2.C24H18FN3O2.C22H18N4O2S.C18H13N5O2/c1-32-19-9-10-21-17(13-19)5-3-7-22(21)33-15-24-30-29-23-11-8-18(14-31(23)24)16-4-2-6-20(12-16)34-25(26,27)28;1-30-18-7-8-19-16(11-18)3-2-4-22(19)31-14-24-28-27-23-10-6-17(13-29(23)24)15-5-9-20(25)21(26)12-15;1-29-18-10-11-20-16(13-18)5-4-8-22(20)30-15-24-27-26-23-12-9-17(14-28(23)24)19-6-2-3-7-21(19)25;1-14-9-20(29-13-14)15-3-6-21-24-25-22(26(21)11-15)12-28-19-7-8-23-18-10-16(27-2)4-5-17(18)19;1-24-13-3-4-14-15(8-13)20-7-6-16(14)25-11-18-22-21-17-5-2-12(9-19)10-23(17)18/h2-14H,15H2,1H3;2-13H,14H2,1H3;2-14H,15H2,1H3;3-11,13H,12H2,1-2H3;2-8,10H,11H2,1H3.

What are the key properties of 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?

6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 2016.08 g/mol, XLogP of 24.37, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-difluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-(2-fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 161127411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).