6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole

C135H103F11N28O6S3 — CID 158664506

About 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole

6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole (PubChem CID 158664506) has the molecular formula C135H103F11N28O6S3 and a molecular weight of 2518.68 g/mol. Its IUPAC name is 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
• PubChem CID: 158664506
• Molecular Formula: C135H103F11N28O6S3
• Molecular Weight: 2518.68 g/mol
• Exact Mass: 2516.76
• IUPAC Name: 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
• SMILES: COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1.COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)cc2c1.Cc1cc(-c2cc(F)c3nnc([C@@](C)(F)c4ccc5ncccc5c4)n3c2)sn1
• InChI: InChI=1S/2C24H17F3N4O.C22H18FN5O2.2C22H18FN5OS.C21H15F2N5S/c2*1-13(14-3-4-22-16(5-14)8-20(32-2)11-28-22)23-29-30-24-21(27)9-17(12-31(23)24)15-6-18(25)10-19(26)7-15;3*1-12-6-20(30-27-12)16-9-18(23)22-26-25-21(28(22)11-16)13(2)14-4-5-19-15(7-14)8-17(29-3)10-24-19;1-12-8-18(29-27-12)14-10-16(22)19-25-26-20(28(19)11-14)21(2,23)15-5-6-17-13(9-15)4-3-7-24-17/h2*3-13H,1-2H3;3*4-11,13H,1-3H3;3-11H,1-2H3/t5*13-;21-/m100100/s1
• InChIKey: IDEHHVDERDYJAW-RLEYGBCTSA-N
• XLogP: 30.68
• TPSA: 369.33 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.68
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?

The IUPAC name of 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole (CID 158664506) is 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole.

What is the SMILES notation for 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?

The canonical SMILES for 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole is COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1.COc1cnc2ccc([C@@H](C)c3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1.COc1cnc2ccc([C@H](C)c3nnc4c(F)cc(-c5cc(F)cc(F)c5)cn34)cc2c1.Cc1cc(-c2cc(F)c3nnc([C@@](C)(F)c4ccc5ncccc5c4)n3c2)sn1.

What is the InChIKey of 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?

The InChIKey is IDEHHVDERDYJAW-RLEYGBCTSA-N. The full InChI is InChI=1S/2C24H17F3N4O.C22H18FN5O2.2C22H18FN5OS.C21H15F2N5S/c2*1-13(14-3-4-22-16(5-14)8-20(32-2)11-28-22)23-29-30-24-21(27)9-17(12-31(23)24)15-6-18(25)10-19(26)7-15;3*1-12-6-20(30-27-12)16-9-18(23)22-26-25-21(28(22)11-16)13(2)14-4-5-19-15(7-14)8-17(29-3)10-24-19;1-12-8-18(29-27-12)14-10-16(22)19-25-26-20(28(19)11-14)21(2,23)15-5-6-17-13(9-15)4-3-7-24-17/h2*3-13H,1-2H3;3*4-11,13H,1-3H3;3-11H,1-2H3/t5*13-;21-/m100100/s1.

What are the key properties of 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?

6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole has a molecular weight of 2518.68 g/mol, XLogP of 30.68, 23 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;6-[(1R)-1-[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline;5-[8-fluoro-3-[(1S)-1-fluoro-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;5-[8-fluoro-3-[(1S)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;5-[8-fluoro-3-[(1R)-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 158664506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).