2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline

C117H108FN23O11S — CID 160714409

About 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline

2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline (PubChem CID 160714409) has the molecular formula C117H108FN23O11S and a molecular weight of 2063.37 g/mol. Its IUPAC name is 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline.

Molecular Properties

• Compound Name: 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline
• PubChem CID: 160714409
• Molecular Formula: C117H108FN23O11S
• Molecular Weight: 2063.37 g/mol
• Exact Mass: 2061.83
• IUPAC Name: 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline
• SMILES: C.C.C.C.C.CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1F.COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccn5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccs5)cn34)ccnc2c1
• InChI: InChI=1S/C25H20FN5O3.C23H18N4O2.C22H17N5O2.C21H17N5O2.C21H16N4O2S.5CH4/c1-27-25(32)18-6-3-15(11-20(18)26)16-4-8-23-29-30-24(31(23)13-16)14-34-22-9-10-28-21-12-17(33-2)5-7-19(21)22;1-28-18-8-9-19-20(13-18)24-12-11-21(19)29-15-23-26-25-22-10-7-17(14-27(22)23)16-5-3-2-4-6-16;1-28-16-6-7-17-19(12-16)24-11-9-20(17)29-14-22-26-25-21-8-5-15(13-27(21)22)18-4-2-3-10-23-18;1-27-15-5-6-16-18(11-15)23-10-8-19(16)28-13-21-25-24-20-7-4-14(12-26(20)21)17-3-2-9-22-17;1-26-15-5-6-16-17(11-15)22-9-8-18(16)27-13-21-24-23-20-7-4-14(12-25(20)21)19-3-2-10-28-19;;;;;/h3-13H,14H2,1-2H3,(H,27,32);2-14H,15H2,1H3;2-13H,14H2,1H3;2-12,22H,13H2,1H3;2-12H,13H2,1H3;5*1H4
• InChIKey: RSGZJOZFFPFIGZ-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 365.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.37
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline?

The IUPAC name of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline (CID 160714409) is 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline.

What is the SMILES notation for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline?

The canonical SMILES for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline is C.C.C.C.C.CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1F.COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccn5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccs5)cn34)ccnc2c1.

What is the InChIKey of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline?

The InChIKey is RSGZJOZFFPFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3.C23H18N4O2.C22H17N5O2.C21H17N5O2.C21H16N4O2S.5CH4/c1-27-25(32)18-6-3-15(11-20(18)26)16-4-8-23-29-30-24(31(23)13-16)14-34-22-9-10-28-21-12-17(33-2)5-7-19(21)22;1-28-18-8-9-19-20(13-18)24-12-11-21(19)29-15-23-26-25-22-10-7-17(14-27(22)23)16-5-3-2-4-6-16;1-28-16-6-7-17-19(12-16)24-11-9-20(17)29-14-22-26-25-21-8-5-15(13-27(21)22)18-4-2-3-10-23-18;1-27-15-5-6-16-18(11-15)23-10-8-19(16)28-13-21-25-24-20-7-4-14(12-26(20)21)17-3-2-9-22-17;1-26-15-5-6-16-17(11-15)22-9-8-18(16)27-13-21-24-23-20-7-4-14(12-25(20)21)19-3-2-10-28-19;;;;;/h3-13H,14H2,1-2H3,(H,27,32);2-14H,15H2,1H3;2-13H,14H2,1H3;2-12,22H,13H2,1H3;2-12H,13H2,1H3;5*1H4.

What are the key properties of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline?

2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline has a molecular weight of 2063.37 g/mol, XLogP of 24.12, 26 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline is sourced from PubChem (CID 160714409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).