4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide

C69H56N16O8S — CID 160897587

About 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide

4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 160897587) has the molecular formula C69H56N16O8S and a molecular weight of 1269.38 g/mol. Its IUPAC name is 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide
• PubChem CID: 160897587
• Molecular Formula: C69H56N16O8S
• Molecular Weight: 1269.38 g/mol
• Exact Mass: 1268.42
• IUPAC Name: 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide
• SMILES: COc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1.COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N(C)C)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CCO6)nn34)ccnc2c1
• InChI: InChI=1S/C24H21N5O3S.C24H19N5O3.C21H16N6O2/c1-28(2)24(30)22-8-7-21(33-22)18-6-9-23-26-13-15(29(23)27-18)14-32-20-10-11-25-19-12-16(31-3)4-5-17(19)20;1-30-17-3-4-18-20(13-17)25-10-8-22(18)32-14-24-27-26-23-7-5-19(28-29(23)24)15-2-6-21-16(12-15)9-11-31-21;1-28-21-11-17-15(12-23-21)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14/h4-13H,14H2,1-3H3;2-8,10,12-13H,9,11,14H2,1H3;2-12H,13H2,1H3
• InChIKey: SPBQMTZEOUYUMG-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 252.83 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.38
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide?

The IUPAC name of 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide (CID 160897587) is 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide.

What is the SMILES notation for 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide?

The canonical SMILES for 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide is COc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cn1.COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N(C)C)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CCO6)nn34)ccnc2c1.

What is the InChIKey of 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide?

The InChIKey is SPBQMTZEOUYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C24H19N5O3.C21H16N6O2/c1-28(2)24(30)22-8-7-21(33-22)18-6-9-23-26-13-15(29(23)27-18)14-32-20-10-11-25-19-12-16(31-3)4-5-17(19)20;1-30-17-3-4-18-20(13-17)25-10-8-22(18)32-14-24-27-26-23-7-5-19(28-29(23)24)15-2-6-21-16(12-15)9-11-31-21;1-28-21-11-17-15(12-23-21)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14/h4-13H,14H2,1-3H3;2-8,10,12-13H,9,11,14H2,1H3;2-12H,13H2,1H3.

What are the key properties of 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide?

4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 1269.38 g/mol, XLogP of 11.48, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 160897587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).