4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one

C26H32FN5O2 — CID 136598231

IUPAC4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
SMILESCN(c1ccc(-c2c(O)cc(-c3ccn(C)c(=O)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22-8-7-20(28-29-22)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15H2,1-6H3
InChIKeyNXOLRRXZUVZVHE-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.10
Rot. Bonds4

About 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one

4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one (PubChem CID 136598231) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
PubChem CID136598231
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one
SMILESCN(c1ccc(-c2c(O)cc(-c3ccn(C)c(=O)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C26H32FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22-8-7-20(28-29-22)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15H2,1-6H3
InChIKeyNXOLRRXZUVZVHE-UHFFFAOYSA-N
XLogP4.10
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one (CID 136598231) is 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one is CN(c1ccc(-c2c(O)cc(-c3ccn(C)c(=O)c3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?
The InChIKey is NXOLRRXZUVZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-25(2)14-18(15-26(3,4)30-25)32(6)22-8-7-20(28-29-22)24-19(27)11-17(12-21(24)33)16-9-10-31(5)23(34)13-16/h7-13,18,30,33H,14-15H2,1-6H3.
What are the key properties of 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one?
4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one has a molecular weight of 465.57 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 136598231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).