2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline

C118H96F4N28O14S — CID 158263141

About 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline

2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline (PubChem CID 158263141) has the molecular formula C118H96F4N28O14S and a molecular weight of 2238.31 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline.

Molecular Properties

• Compound Name: 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline
• PubChem CID: 158263141
• Molecular Formula: C118H96F4N28O14S
• Molecular Weight: 2238.31 g/mol
• Exact Mass: 2236.73
• IUPAC Name: 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline
• SMILES: COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3cnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N(C)C)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N)c(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C26H23FN6O4.C25H21FN6O3.C23H17FN6O3.C22H17FN6O2.C22H18N4O2S/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;1-31(2)25(33)17-6-4-15(12-19(17)26)20-8-9-23-28-29-24(32(23)30-20)14-35-22-10-11-27-21-13-16(34-3)5-7-18(21)22;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;1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-17(24)16(23)10-13;1-14-9-21(29-13-14)18-5-6-22-24-11-15(26(22)25-18)12-28-20-7-8-23-19-10-16(27-2)3-4-17(19)20/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);4-13H,14H2,1-3H3;2-11H,12H2,1H3,(H2,25,31);2-11H,12,24H2,1H3;3-11,13H,12H2,1-2H3
• InChIKey: GICSQJIEBITZEY-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 487.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.31
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline?

The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline (CID 158263141) is 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline.

What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline?

The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline is COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3cnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N(C)C)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N)c(F)c5)nn34)ccnc2c1.

What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline?

The InChIKey is GICSQJIEBITZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O4.C25H21FN6O3.C23H17FN6O3.C22H17FN6O2.C22H18N4O2S/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;1-31(2)25(33)17-6-4-15(12-19(17)26)20-8-9-23-28-29-24(32(23)30-20)14-35-22-10-11-27-21-13-16(34-3)5-7-18(21)22;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;1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-17(24)16(23)10-13;1-14-9-21(29-13-14)18-5-6-22-24-11-15(26(22)25-18)12-28-20-7-8-23-19-10-16(27-2)3-4-17(19)20/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);4-13H,14H2,1-3H3;2-11H,12H2,1H3,(H2,25,31);2-11H,12,24H2,1H3;3-11,13H,12H2,1-2H3.

What are the key properties of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline?

2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline has a molecular weight of 2238.31 g/mol, XLogP of 18.93, 31 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzamide;7-methoxy-4-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 158263141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).