4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol

C23H30N6O — CID 175337741

About 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol

4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol (PubChem CID 175337741) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol.

Molecular Properties

• Compound Name: 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol
• PubChem CID: 175337741
• Molecular Formula: C23H30N6O
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.25
• IUPAC Name: 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol
• SMILES: CN(c1ccc(-c2ccn(-c3ccc(O)cc3)n2)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-11-10-19(24-25-21)20-12-13-29(26-20)16-6-8-18(30)9-7-16/h6-13,17,27,30H,14-15H2,1-5H3
• InChIKey: QANHOACWGAOUFQ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol?

The IUPAC name of 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol (CID 175337741) is 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol.

What is the SMILES notation for 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol?

The canonical SMILES for 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol is CN(c1ccc(-c2ccn(-c3ccc(O)cc3)n2)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol?

The InChIKey is QANHOACWGAOUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-22(2)14-17(15-23(3,4)27-22)28(5)21-11-10-19(24-25-21)20-12-13-29(26-20)16-6-8-18(30)9-7-16/h6-13,17,27,30H,14-15H2,1-5H3.

What are the key properties of 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol?

4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol has a molecular weight of 406.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]pyrazol-1-yl]phenol is sourced from PubChem (CID 175337741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).