4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine

C114H98FN35O10 — CID 161455529

About 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine

4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 161455529) has the molecular formula C114H98FN35O10 and a molecular weight of 2137.27 g/mol. Its IUPAC name is 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine
• PubChem CID: 161455529
• Molecular Formula: C114H98FN35O10
• Molecular Weight: 2137.27 g/mol
• Exact Mass: 2135.82
• IUPAC Name: 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5cc[nH]c(=O)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCNCC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC6CCNC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccnc(F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(C)cc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/2C25H24N8O2.C22H19N7O.C21H15FN6O2.C21H16N6O3/c1-34-18-3-4-19-21(12-18)27-11-9-22(19)35-15-25-31-30-24-7-5-20(32-33(24)25)16-2-6-23(28-13-16)29-17-8-10-26-14-17;1-34-18-3-4-19-21(14-18)27-9-8-22(19)35-16-25-30-29-24-7-5-20(31-33(24)25)17-2-6-23(28-15-17)32-12-10-26-11-13-32;1-14-10-18(15-6-4-3-5-7-15)28-29-20(26-27-22(14)29)13-24-17-8-9-23-19-11-16(30-2)12-25-21(17)19;1-29-14-2-3-15-17(11-14)23-9-7-18(15)30-12-21-26-25-20-5-4-16(27-28(20)21)13-6-8-24-19(22)10-13;1-29-14-2-3-15-17(11-14)22-9-7-18(15)30-12-20-25-24-19-5-4-16(26-27(19)20)13-6-8-23-21(28)10-13/h2-7,9,11-13,17,26H,8,10,14-15H2,1H3,(H,28,29);2-9,14-15,26H,10-13,16H2,1H3;3-12H,13H2,1-2H3,(H,23,24);2-11H,12H2,1H3;2-11H,12H2,1H3,(H,23,28)
• InChIKey: WBCIROSNTFWRBL-UHFFFAOYSA-N
• XLogP: 15.57
• TPSA: 498.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 28
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.27
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine?

The IUPAC name of 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine (CID 161455529) is 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine.

What is the SMILES notation for 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine?

The canonical SMILES for 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine is COc1ccc2c(OCc3nnc4ccc(-c5cc[nH]c(=O)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCNCC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC6CCNC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccnc(F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(C)cc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine?

The InChIKey is WBCIROSNTFWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24N8O2.C22H19N7O.C21H15FN6O2.C21H16N6O3/c1-34-18-3-4-19-21(12-18)27-11-9-22(19)35-15-25-31-30-24-7-5-20(32-33(24)25)16-2-6-23(28-13-16)29-17-8-10-26-14-17;1-34-18-3-4-19-21(14-18)27-9-8-22(19)35-16-25-30-29-24-7-5-20(31-33(24)25)17-2-6-23(28-15-17)32-12-10-26-11-13-32;1-14-10-18(15-6-4-3-5-7-15)28-29-20(26-27-22(14)29)13-24-17-8-9-23-19-11-16(30-2)12-25-21(17)19;1-29-14-2-3-15-17(11-14)23-9-7-18(15)30-12-21-26-25-20-5-4-16(27-28(20)21)13-6-8-24-19(22)10-13;1-29-14-2-3-15-17(11-14)22-9-7-18(15)30-12-20-25-24-19-5-4-16(26-27(19)20)13-6-8-23-21(28)10-13/h2-7,9,11-13,17,26H,8,10,14-15H2,1H3,(H,28,29);2-9,14-15,26H,10-13,16H2,1H3;3-12H,13H2,1-2H3,(H,23,24);2-11H,12H2,1H3;2-11H,12H2,1H3,(H,23,28).

What are the key properties of 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine?

4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 2137.27 g/mol, XLogP of 15.57, 28 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(2-fluoro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[(8-methyl-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-piperazin-1-yl-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]-1H-pyridin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 161455529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).