6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol

C51H59N9O4 — CID 160961207

About 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol

6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol (PubChem CID 160961207) has the molecular formula C51H59N9O4 and a molecular weight of 862.09 g/mol. Its IUPAC name is 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol.

Molecular Properties

• Compound Name: 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
• PubChem CID: 160961207
• Molecular Formula: C51H59N9O4
• Molecular Weight: 862.09 g/mol
• Exact Mass: 861.47
• IUPAC Name: 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
• SMILES: CC1(C)CC(Oc2ccc(-c3cc4c(=O)[nH]ccc4cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc3cnc(-c4ccccc4)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C29H33N5O.C22H26N4O3/c1-28(2)16-22(17-29(3,4)33-28)34(5)27-12-11-24(31-32-27)23-13-21-18-30-25(14-20(21)15-26(23)35)19-9-7-6-8-10-19;1-21(2)11-14(12-22(3,4)26-21)29-19-6-5-17(24-25-19)16-10-15-13(9-18(16)27)7-8-23-20(15)28/h6-15,18,22,33,35H,16-17H2,1-5H3;5-10,14,26-27H,11-12H2,1-4H3,(H,23,28)
• InChIKey: SXAOFDBRHWEJFM-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 174.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	862.09
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The IUPAC name of 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol (CID 160961207) is 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol.

What is the SMILES notation for 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The canonical SMILES for 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol is CC1(C)CC(Oc2ccc(-c3cc4c(=O)[nH]ccc4cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc3cnc(-c4ccccc4)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The InChIKey is SXAOFDBRHWEJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O.C22H26N4O3/c1-28(2)16-22(17-29(3,4)33-28)34(5)27-12-11-24(31-32-27)23-13-21-18-30-25(14-20(21)15-26(23)35)19-9-7-6-8-10-19;1-21(2)11-14(12-22(3,4)26-21)29-19-6-5-17(24-25-19)16-10-15-13(9-18(16)27)7-8-23-20(15)28/h6-15,18,22,33,35H,16-17H2,1-5H3;5-10,14,26-27H,11-12H2,1-4H3,(H,23,28).

What are the key properties of 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol has a molecular weight of 862.09 g/mol, XLogP of 9.19, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol is sourced from PubChem (CID 160961207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).