4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide

C115H90ClF4N29O13S — CID 157079411

About 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide

4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide (PubChem CID 157079411) has the molecular formula C115H90ClF4N29O13S and a molecular weight of 2229.69 g/mol. Its IUPAC name is 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide
• PubChem CID: 157079411
• Molecular Formula: C115H90ClF4N29O13S
• Molecular Weight: 2229.69 g/mol
• Exact Mass: 2227.66
• IUPAC Name: 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(F)(F)F)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(S(=O)(=O)N(C)C)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6nccn6c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccnc5OC)nn34)ccnc2c1
• InChI: InChI=1S/C24H22N6O4S.C23H15ClF3N5O2.C23H18FN5O2.C23H17N7O2.C22H18N6O3/c1-29(2)35(31,32)18-7-4-16(5-8-18)20-10-11-23-26-27-24(30(23)28-20)15-34-22-12-13-25-21-14-17(33-3)6-9-19(21)22;1-33-14-3-4-15-19(11-14)28-9-8-20(15)34-12-22-30-29-21-7-6-18(31-32(21)22)13-2-5-16(17(24)10-13)23(25,26)27;1-14-9-15(11-16(24)10-14)19-5-6-22-26-27-23(29(22)28-19)13-31-21-7-8-25-20-12-17(30-2)3-4-18(20)21;1-31-16-3-4-17-19(12-16)24-9-8-20(17)32-14-23-27-26-22-7-5-18(28-30(22)23)15-2-6-21-25-10-11-29(21)13-15;1-29-14-5-6-15-18(12-14)23-11-9-19(15)31-13-21-26-25-20-8-7-17(27-28(20)21)16-4-3-10-24-22(16)30-2/h4-14H,15H2,1-3H3;2-11H,12H2,1H3;3-12H,13H2,1-2H3;2-13H,14H2,1H3;3-12H,13H2,1-2H3
• InChIKey: ADIVVNNUTVQFEJ-UHFFFAOYSA-N
• XLogP: 20.06
• TPSA: 448.95 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2229.69
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide?

The IUPAC name of 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide (CID 157079411) is 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide.

What is the SMILES notation for 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide?

The canonical SMILES for 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide is COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(F)(F)F)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(S(=O)(=O)N(C)C)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6nccn6c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccnc5OC)nn34)ccnc2c1.

What is the InChIKey of 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide?

The InChIKey is ADIVVNNUTVQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4S.C23H15ClF3N5O2.C23H18FN5O2.C23H17N7O2.C22H18N6O3/c1-29(2)35(31,32)18-7-4-16(5-8-18)20-10-11-23-26-27-24(30(23)28-20)15-34-22-12-13-25-21-14-17(33-3)6-9-19(21)22;1-33-14-3-4-15-19(11-14)28-9-8-20(15)34-12-22-30-29-21-7-6-18(31-32(21)22)13-2-5-16(17(24)10-13)23(25,26)27;1-14-9-15(11-16(24)10-14)19-5-6-22-26-27-23(29(22)28-19)13-31-21-7-8-25-20-12-17(30-2)3-4-18(20)21;1-31-16-3-4-17-19(12-16)24-9-8-20(17)32-14-23-27-26-22-7-5-18(28-30(22)23)15-2-6-21-25-10-11-29(21)13-15;1-29-14-5-6-15-18(12-14)23-11-9-19(15)31-13-21-26-25-20-8-7-17(27-28(20)21)16-4-3-10-24-22(16)30-2/h4-14H,15H2,1-3H3;2-11H,12H2,1H3;3-12H,13H2,1-2H3;2-13H,14H2,1H3;3-12H,13H2,1-2H3.

What are the key properties of 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide?

4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide has a molecular weight of 2229.69 g/mol, XLogP of 20.06, 28 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[(6-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methoxy-3-pyridinyl)-[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]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 157079411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).