4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile

C112H86FN27O13S — CID 157302496

About 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile

4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (PubChem CID 157302496) has the molecular formula C112H86FN27O13S and a molecular weight of 2069.16 g/mol. Its IUPAC name is 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
• PubChem CID: 157302496
• Molecular Formula: C112H86FN27O13S
• Molecular Weight: 2069.16 g/mol
• Exact Mass: 2067.66
• IUPAC Name: 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
• SMILES: COc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C#N)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5F)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccncc5)nn34)ccnc2c1
• InChI: InChI=1S/C23H16N6O2.C23H19N5O4S.C23H19N5O3.C22H16FN5O2.C21H16N6O2/c1-30-17-6-7-18-20(12-17)25-11-10-21(18)31-14-23-27-26-22-9-8-19(28-29(22)23)16-4-2-15(13-24)3-5-16;1-31-16-5-8-18-20(13-16)24-12-11-21(18)32-14-23-26-25-22-10-9-19(27-28(22)23)15-3-6-17(7-4-15)33(2,29)30;1-29-16-5-3-15(4-6-16)19-9-10-22-25-26-23(28(22)27-19)14-31-21-11-12-24-20-13-17(30-2)7-8-18(20)21;1-29-14-6-7-16-19(12-14)24-11-10-20(16)30-13-22-26-25-21-9-8-18(27-28(21)22)15-4-2-3-5-17(15)23;1-28-15-2-3-16-18(12-15)23-11-8-19(16)29-13-21-25-24-20-5-4-17(26-27(20)21)14-6-9-22-10-7-14/h2-12H,14H2,1H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;2-12H,13H2,1H3;2-12H,13H2,1H3
• InChIKey: BCBIRLJPEBVKFE-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 452.20 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2069.16
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?

The IUPAC name of 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile (CID 157302496) is 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile.

What is the SMILES notation for 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?

The canonical SMILES for 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is COc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C#N)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(S(C)(=O)=O)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5F)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccncc5)nn34)ccnc2c1.

What is the InChIKey of 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?

The InChIKey is BCBIRLJPEBVKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2.C23H19N5O4S.C23H19N5O3.C22H16FN5O2.C21H16N6O2/c1-30-17-6-7-18-20(12-17)25-11-10-21(18)31-14-23-27-26-22-9-8-19(28-29(22)23)16-4-2-15(13-24)3-5-16;1-31-16-5-8-18-20(13-16)24-12-11-21(18)32-14-23-26-25-22-10-9-19(27-28(22)23)15-3-6-17(7-4-15)33(2,29)30;1-29-16-5-3-15(4-6-16)19-9-10-22-25-26-23(28(22)27-19)14-31-21-11-12-24-20-13-17(30-2)7-8-18(20)21;1-29-14-6-7-16-19(12-14)24-11-10-20(16)30-13-22-26-25-21-9-8-18(27-28(21)22)15-4-2-3-5-17(15)23;1-28-15-2-3-16-18(12-15)23-11-8-19(16)29-13-21-25-24-20-5-4-17(26-27(20)21)14-6-9-22-10-7-14/h2-12H,14H2,1H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;2-12H,13H2,1H3;2-12H,13H2,1H3.

What are the key properties of 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile?

4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile has a molecular weight of 2069.16 g/mol, XLogP of 18.45, 27 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile is sourced from PubChem (CID 157302496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).