4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide

C95H73F4N23O9 — CID 158386142

About 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide

4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide (PubChem CID 158386142) has the molecular formula C95H73F4N23O9 and a molecular weight of 1756.77 g/mol. Its IUPAC name is 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide
• PubChem CID: 158386142
• Molecular Formula: C95H73F4N23O9
• Molecular Weight: 1756.77 g/mol
• Exact Mass: 1755.59
• IUPAC Name: 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(C(F)(F)F)c5)nn34)ccnc2c1.N#Cc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.NC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C28H27FN6O4.C23H16F3N5O2.C22H16N6O2.C22H14N6O/c1-36-20-3-4-21-24(17-20)30-9-8-25(21)39-18-28-32-31-27-7-5-23(33-35(27)28)19-2-6-26(22(29)16-19)38-15-12-34-10-13-37-14-11-34;1-32-16-5-6-17-19(12-16)27-10-9-20(17)33-13-22-29-28-21-8-7-18(30-31(21)22)14-3-2-4-15(11-14)23(24,25)26;23-22(29)15-6-7-16-18(12-15)24-11-10-19(16)30-13-21-26-25-20-9-8-17(27-28(20)21)14-4-2-1-3-5-14;23-13-15-6-7-17-19(12-15)24-11-10-20(17)29-14-22-26-25-21-9-8-18(27-28(21)22)16-4-2-1-3-5-16/h2-9,16-17H,10-15,18H2,1H3;2-12H,13H2,1H3;1-12H,13H2,(H2,23,29);1-12H,14H2
• InChIKey: GWJYSASAMKKWBM-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 367.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.77
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?

The IUPAC name of 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide (CID 158386142) is 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide.

What is the SMILES notation for 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?

The canonical SMILES for 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide is COc1ccc2c(OCc3nnc4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(C(F)(F)F)c5)nn34)ccnc2c1.N#Cc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.NC(=O)c1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?

The InChIKey is GWJYSASAMKKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4.C23H16F3N5O2.C22H16N6O2.C22H14N6O/c1-36-20-3-4-21-24(17-20)30-9-8-25(21)39-18-28-32-31-27-7-5-23(33-35(27)28)19-2-6-26(22(29)16-19)38-15-12-34-10-13-37-14-11-34;1-32-16-5-6-17-19(12-16)27-10-9-20(17)33-13-22-29-28-21-8-7-18(30-31(21)22)14-3-2-4-15(11-14)23(24,25)26;23-22(29)15-6-7-16-18(12-15)24-11-10-19(16)30-13-21-26-25-20-9-8-17(27-28(20)21)14-4-2-1-3-5-14;23-13-15-6-7-17-19(12-15)24-11-10-20(17)29-14-22-26-25-21-9-8-18(27-28(21)22)16-4-2-1-3-5-16/h2-9,16-17H,10-15,18H2,1H3;2-12H,13H2,1H3;1-12H,13H2,(H2,23,29);1-12H,14H2.

What are the key properties of 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide?

4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide has a molecular weight of 1756.77 g/mol, XLogP of 15.53, 23 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenoxy]ethyl]morpholine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carboxamide is sourced from PubChem (CID 158386142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).