2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

C116H90F5N27O14S — CID 159029525

About 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline

2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (PubChem CID 159029525) has the molecular formula C116H90F5N27O14S and a molecular weight of 2213.23 g/mol. Its IUPAC name is 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

Molecular Properties

• Compound Name: 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• PubChem CID: 159029525
• Molecular Formula: C116H90F5N27O14S
• Molecular Weight: 2213.23 g/mol
• Exact Mass: 2211.68
• IUPAC Name: 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
• SMILES: CNC(=O)c1ccc(-c2ccc3nnc(C(C)Oc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ncnc2c1
• InChI: InChI=1S/C26H23N5O4S.C25H21FN6O3.C22H14F3N5O2.C22H16FN5O3.C21H16N6O2/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30;1-14(35-22-10-11-28-21-13-16(34-3)5-7-18(21)22)24-30-29-23-9-8-20(31-32(23)24)15-4-6-17(19(26)12-15)25(33)27-2;1-31-13-2-3-14-18(10-13)26-7-6-19(14)32-11-21-28-27-20-5-4-17(29-30(20)21)12-8-15(23)22(25)16(24)9-12;1-30-14-3-4-15-18(11-14)24-9-8-20(15)31-12-22-26-25-21-7-5-17(27-28(21)22)13-2-6-19(29)16(23)10-13;1-28-15-7-8-16-18(11-15)22-13-23-21(16)29-12-20-25-24-19-10-9-17(26-27(19)20)14-5-3-2-4-6-14/h2-9,14-15H,10-13,16H2,1H3;4-14H,1-3H3,(H,27,33);2-10H,11H2,1H3;2-11,29H,12H2,1H3;2-11,13H,12H2,1H3
• InChIKey: JURYGVAAMIFDDM-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 451.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.23
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The IUPAC name of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline (CID 159029525) is 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline.

What is the SMILES notation for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The canonical SMILES for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is CNC(=O)c1ccc(-c2ccc3nnc(C(C)Oc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ncnc2c1.

What is the InChIKey of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

The InChIKey is JURYGVAAMIFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S.C25H21FN6O3.C22H14F3N5O2.C22H16FN5O3.C21H16N6O2/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30;1-14(35-22-10-11-28-21-13-16(34-3)5-7-18(21)22)24-30-29-23-9-8-20(31-32(23)24)15-4-6-17(19(26)12-15)25(33)27-2;1-31-13-2-3-14-18(10-13)26-7-6-19(14)32-11-21-28-27-20-5-4-17(29-30(20)21)12-8-15(23)22(25)16(24)9-12;1-30-14-3-4-15-18(11-14)24-9-8-20(15)31-12-22-26-25-21-7-5-17(27-28(21)22)13-2-6-19(29)16(23)10-13;1-28-15-7-8-16-18(11-15)22-13-23-21(16)29-12-20-25-24-19-10-9-17(26-27(19)20)14-5-3-2-4-6-14/h2-9,14-15H,10-13,16H2,1H3;4-14H,1-3H3,(H,27,33);2-10H,11H2,1H3;2-11,29H,12H2,1H3;2-11,13H,12H2,1H3.

What are the key properties of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline?

2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline has a molecular weight of 2213.23 g/mol, XLogP of 19.49, 27 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone;7-methoxy-4-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline is sourced from PubChem (CID 159029525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).