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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline

C108H82F9N25O5S2 — CID 161192842

About 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline

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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline (PubChem CID 161192842) has the molecular formula C108H82F9N25O5S2 and a molecular weight of 2045.13 g/mol. Its IUPAC name is 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline.

Molecular Properties

• Compound Name: 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline
• PubChem CID: 161192842
• Molecular Formula: C108H82F9N25O5S2
• Molecular Weight: 2045.13 g/mol
• Exact Mass: 2043.62
• IUPAC Name: 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline
• SMILES: COc1cnc2ccc(Cc3cnc4c(F)cc(-c5cc(C(F)(F)F)no5)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.C[C@H](c1ccc2ncccc2c1)c1nnc2c(F)cc(-c3cnn(C)c3)cn12.Cc1cc(-c2cc(F)c3nnc([C@@](C)(F)c4ccc5ncccc5c4)n3c2)sn1
• InChI: InChI=1S/C22H14F4N4O2.C22H18FN5O2.C22H18FN5OS.C21H15F2N5S.C21H17FN6/c1-31-16-6-13-4-12(2-3-18(13)27-10-16)5-15-9-28-21-17(23)7-14(11-30(15)21)19-8-20(29-32-19)22(24,25)26;2*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;1-13(14-5-6-19-15(8-14)4-3-7-23-19)20-25-26-21-18(22)9-16(12-28(20)21)17-10-24-27(2)11-17/h2-4,6-11H,5H2,1H3;2*4-11,13H,1-3H3;3-11H,1-2H3;3-13H,1-2H3/t;2*13-;21-;13-/m.0001/s1
• InChIKey: UTYKARDFLYGFQT-MCYJIPBASA-N
• XLogP: 23.89
• TPSA: 325.86 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.13
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The IUPAC name of 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline (CID 161192842) is 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline.

What is the SMILES notation for 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The canonical SMILES for 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline is COc1cnc2ccc(Cc3cnc4c(F)cc(-c5cc(C(F)(F)F)no5)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.C[C@H](c1ccc2ncccc2c1)c1nnc2c(F)cc(-c3cnn(C)c3)cn12.Cc1cc(-c2cc(F)c3nnc([C@@](C)(F)c4ccc5ncccc5c4)n3c2)sn1.

What is the InChIKey of 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The InChIKey is UTYKARDFLYGFQT-MCYJIPBASA-N. The full InChI is InChI=1S/C22H14F4N4O2.C22H18FN5O2.C22H18FN5OS.C21H15F2N5S.C21H17FN6/c1-31-16-6-13-4-12(2-3-18(13)27-10-16)5-15-9-28-21-17(23)7-14(11-30(15)21)19-8-20(29-32-19)22(24,25)26;2*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;1-13(14-5-6-19-15(8-14)4-3-7-23-19)20-25-26-21-18(22)9-16(12-28(20)21)17-10-24-27(2)11-17/h2-4,6-11H,5H2,1H3;2*4-11,13H,1-3H3;3-11H,1-2H3;3-13H,1-2H3/t;2*13-;21-;13-/m.0001/s1.

What are the key properties of 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline has a molecular weight of 2045.13 g/mol, XLogP of 23.89, 18 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[(3-methoxyquinolin-6-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)-1,2-oxazole;6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline is sourced from PubChem (CID 161192842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).