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

C20H27FN4O — CID 136661729

IUPAC3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2ccc(O)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H27FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)18-9-8-17(22-23-18)15-7-6-14(26)10-16(15)21/h6-10,13,24,26H,11-12H2,1-5H3
InChIKeyCYQVMQFNWZXXSH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.73
Rot. Bonds3

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

3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136661729) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136661729
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2ccc(O)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H27FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)18-9-8-17(22-23-18)15-7-6-14(26)10-16(15)21/h6-10,13,24,26H,11-12H2,1-5H3
InChIKeyCYQVMQFNWZXXSH-UHFFFAOYSA-N
XLogP3.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136661729) is 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CN(c1ccc(-c2ccc(O)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is CYQVMQFNWZXXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)18-9-8-17(22-23-18)15-7-6-14(26)10-16(15)21/h6-10,13,24,26H,11-12H2,1-5H3.
What are the key properties of 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 358.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136661729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).