6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline

C112H87ClF9N27O6S — CID 158442883

About 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline

6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline (PubChem CID 158442883) has the molecular formula C112H87ClF9N27O6S and a molecular weight of 2145.61 g/mol. Its IUPAC name is 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline.

Molecular Properties

• Compound Name: 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline
• PubChem CID: 158442883
• Molecular Formula: C112H87ClF9N27O6S
• Molecular Weight: 2145.61 g/mol
• Exact Mass: 2143.66
• IUPAC Name: 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline
• SMILES: CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.COc1cnc2ccc(C(C)(F)c3nnc4c(F)cc(-c5cscn5)cn34)cc2c1.Cc1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncc(OCC6COCCO6)cc5c4)n3c2)on1.Cn1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncc(OCc6ccccc6)cc5c4)n3c2)cn1.Cn1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncccc5c4)n3c2)cn1
• InChI: InChI=1S/C28H22F2N6O.C26H23F2N5O4.C21H16F2N6.C21H15F2N5OS.C16H11ClFN5/c1-28(30,27-34-33-26-24(29)12-20(16-36(26)27)21-13-32-35(2)15-21)22-8-9-25-19(10-22)11-23(14-31-25)37-17-18-6-4-3-5-7-18;1-15-7-23(37-32-15)17-10-21(27)24-30-31-25(33(24)12-17)26(2,28)18-3-4-22-16(8-18)9-19(11-29-22)36-14-20-13-34-5-6-35-20;1-21(23,16-5-6-18-13(8-16)4-3-7-24-18)20-27-26-19-17(22)9-14(12-29(19)20)15-10-25-28(2)11-15;1-21(23,14-3-4-17-12(5-14)6-15(29-2)8-24-17)20-27-26-19-16(22)7-13(9-28(19)20)18-10-30-11-25-18;1-16(18,11-4-5-12-10(9-11)3-2-8-19-12)15-21-20-14-7-6-13(17)22-23(14)15/h3-16H,17H2,1-2H3;3-4,7-12,20H,5-6,13-14H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;2-9H,1H3
• InChIKey: HDALILQVRFRQOE-UHFFFAOYSA-N
• XLogP: 22.43
• TPSA: 349.00 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.61
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The IUPAC name of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline (CID 158442883) is 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-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 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The canonical SMILES for 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline is CC(F)(c1ccc2ncccc2c1)c1nnc2ccc(Cl)nn12.COc1cnc2ccc(C(C)(F)c3nnc4c(F)cc(-c5cscn5)cn34)cc2c1.Cc1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncc(OCC6COCCO6)cc5c4)n3c2)on1.Cn1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncc(OCc6ccccc6)cc5c4)n3c2)cn1.Cn1cc(-c2cc(F)c3nnc(C(C)(F)c4ccc5ncccc5c4)n3c2)cn1.

What is the InChIKey of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

The InChIKey is HDALILQVRFRQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N6O.C26H23F2N5O4.C21H16F2N6.C21H15F2N5OS.C16H11ClFN5/c1-28(30,27-34-33-26-24(29)12-20(16-36(26)27)21-13-32-35(2)15-21)22-8-9-25-19(10-22)11-23(14-31-25)37-17-18-6-4-3-5-7-18;1-15-7-23(37-32-15)17-10-21(27)24-30-31-25(33(24)12-17)26(2,28)18-3-4-22-16(8-18)9-19(11-29-22)36-14-20-13-34-5-6-35-20;1-21(23,16-5-6-18-13(8-16)4-3-7-24-18)20-27-26-19-17(22)9-14(12-29(19)20)15-10-25-28(2)11-15;1-21(23,14-3-4-17-12(5-14)6-15(29-2)8-24-17)20-27-26-19-16(22)7-13(9-28(19)20)18-10-30-11-25-18;1-16(18,11-4-5-12-10(9-11)3-2-8-19-12)15-21-20-14-7-6-13(17)22-23(14)15/h3-16H,17H2,1-2H3;3-4,7-12,20H,5-6,13-14H2,1-2H3;3-12H,1-2H3;3-11H,1-2H3;2-9H,1H3.

What are the key properties of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinoline?

6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-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 2145.61 g/mol, XLogP of 22.43, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-fluoroethyl]quinoline;5-[3-[1-[3-(1,4-dioxan-2-ylmethoxy)quinolin-6-yl]-1-fluoroethyl]-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;4-[8-fluoro-3-[1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole;6-[1-fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-phenylmethoxyquinoline;6-[1-fluoro-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 158442883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).