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

C25H32FN5O2 — CID 166776734

IUPAC4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-2-one
SMILESCN(c1ccc(-c2c(O)cc(C3C=CNC(=O)C3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H32FN5O2/c1-24(2)13-17(14-25(3,4)30-24)31(5)21-7-6-19(28-29-21)23-18(26)10-16(11-20(23)32)15-8-9-27-22(33)12-15/h6-11,15,17,30,32H,12-14H2,1-5H3,(H,27,33)
InChIKeyVHJJAWUMIXQGEF-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.85
Rot. Bonds4

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

4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-2-one (PubChem CID 166776734) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 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]-3,4-dihydro-1H-pyridin-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]-3,4-dihydro-1H-pyridin-2-one
PubChem CID166776734
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-2-one
SMILESCN(c1ccc(-c2c(O)cc(C3C=CNC(=O)C3)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H32FN5O2/c1-24(2)13-17(14-25(3,4)30-24)31(5)21-7-6-19(28-29-21)23-18(26)10-16(11-20(23)32)15-8-9-27-22(33)12-15/h6-11,15,17,30,32H,12-14H2,1-5H3,(H,27,33)
InChIKeyVHJJAWUMIXQGEF-UHFFFAOYSA-N
XLogP3.85
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-2-one with MolForge

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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]-3,4-dihydro-1H-pyridin-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]-3,4-dihydro-1H-pyridin-2-one (CID 166776734) is 4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-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]-3,4-dihydro-1H-pyridin-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]-3,4-dihydro-1H-pyridin-2-one is CN(c1ccc(-c2c(O)cc(C3C=CNC(=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]-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is VHJJAWUMIXQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-24(2)13-17(14-25(3,4)30-24)31(5)21-7-6-19(28-29-21)23-18(26)10-16(11-20(23)32)15-8-9-27-22(33)12-15/h6-11,15,17,30,32H,12-14H2,1-5H3,(H,27,33).
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]-3,4-dihydro-1H-pyridin-2-one?
4-[3-fluoro-5-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 453.56 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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]-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 166776734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).