2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

C115H91Cl2F5N28O14 — CID 158296992

About 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (PubChem CID 158296992) has the molecular formula C115H91Cl2F5N28O14 and a molecular weight of 2255.07 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

Molecular Properties

• Compound Name: 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• PubChem CID: 158296992
• Molecular Formula: C115H91Cl2F5N28O14
• Molecular Weight: 2255.07 g/mol
• Exact Mass: 2252.66
• IUPAC Name: 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• SMILES: COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1Cl.COc1ccc2c(OCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC(F)(F)F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C#CCN(C)C)nn34)ccnc2c1
• InChI: InChI=1S/C26H23ClN6O4.C23H17ClN6O3.C23H16F3N5O3.C22H15F2N5O2.C21H20N6O2/c1-35-12-11-29-26(34)18-5-3-16(13-20(18)27)21-7-8-24-30-31-25(33(24)32-21)15-37-23-9-10-28-22-14-17(36-2)4-6-19(22)23;1-32-14-3-5-16-19(11-14)26-9-8-20(16)33-12-22-28-27-21-7-6-18(29-30(21)22)13-2-4-15(23(25)31)17(24)10-13;1-32-15-5-6-17-19(12-15)27-10-9-20(17)33-13-22-29-28-21-8-7-18(30-31(21)22)14-3-2-4-16(11-14)34-23(24,25)26;1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13;1-26(2)12-4-5-15-6-9-20-23-24-21(27(20)25-15)14-29-19-10-11-22-18-13-16(28-3)7-8-17(18)19/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);2-11H,12H2,1H3,(H2,25,31);2-12H,13H2,1H3;2-11H,12H2,1H3;6-11,13H,12,14H2,1-3H3
• InChIKey: GMAMMIAEIGQLLU-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 466.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.07
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The IUPAC name of 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (CID 158296992) is 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1Cl.COc1ccc2c(OCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC(F)(F)F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(C#CCN(C)C)nn34)ccnc2c1.

What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The InChIKey is GMAMMIAEIGQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O4.C23H17ClN6O3.C23H16F3N5O3.C22H15F2N5O2.C21H20N6O2/c1-35-12-11-29-26(34)18-5-3-16(13-20(18)27)21-7-8-24-30-31-25(33(24)32-21)15-37-23-9-10-28-22-14-17(36-2)4-6-19(22)23;1-32-14-3-5-16-19(11-14)26-9-8-20(16)33-12-22-28-27-21-7-6-18(29-30(21)22)13-2-4-15(23(25)31)17(24)10-13;1-32-15-5-6-17-19(12-15)27-10-9-20(17)33-13-22-29-28-21-8-7-18(30-31(21)22)14-3-2-4-16(11-14)34-23(24,25)26;1-30-16-2-3-17-19(11-16)25-7-6-20(17)31-12-22-27-26-21-5-4-18(28-29(21)22)13-8-14(23)10-15(24)9-13;1-26(2)12-4-5-15-6-9-20-23-24-21(27(20)25-15)14-29-19-10-11-22-18-13-16(28-3)7-8-17(18)19/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);2-11H,12H2,1H3,(H2,25,31);2-12H,13H2,1H3;2-11H,12H2,1H3;6-11,13H,12,14H2,1-3H3.

What are the key properties of 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline has a molecular weight of 2255.07 g/mol, XLogP of 18.84, 31 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylprop-2-yn-1-amine;7-methoxy-4-[[6-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 158296992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).