7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol

C29H33N5O — CID 136607596

About 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol

7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol (PubChem CID 136607596) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol.

Molecular Properties

• Compound Name: 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
• PubChem CID: 136607596
• Molecular Formula: C29H33N5O
• Molecular Weight: 467.62 g/mol
• Exact Mass: 467.27
• IUPAC Name: 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol
• SMILES: CN(c1ccc(-c2cc3cnc(-c4ccccc4)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C29H33N5O/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/h6-15,18,22,33,35H,16-17H2,1-5H3
• InChIKey: DFBCSZAWLKXZKN-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 74.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.62
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The IUPAC name of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol (CID 136607596) is 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol.

What is the SMILES notation for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The canonical SMILES for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol is CN(c1ccc(-c2cc3cnc(-c4ccccc4)cc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

The InChIKey is DFBCSZAWLKXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/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/h6-15,18,22,33,35H,16-17H2,1-5H3.

What are the key properties of 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol?

7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol has a molecular weight of 467.62 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-phenylisoquinolin-6-ol is sourced from PubChem (CID 136607596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).