5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one

C26H32FN5O2 — CID 137464812

IUPAC5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C26H32FN5O2/c1-25(2)14-19(15-26(3,4)31-25)32(12-11-27)23-9-8-21(29-30-23)20-7-5-17(13-22(20)33)18-6-10-24(34)28-16-18/h5-10,13,16,19,31,33H,11-12,14-15H2,1-4H3,(H,28,34)
InChIKeyWPDSJIWSOGIPKX-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.29
Rot. Bonds6

About 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one

5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one (PubChem CID 137464812) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
PubChem CID137464812
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C26H32FN5O2/c1-25(2)14-19(15-26(3,4)31-25)32(12-11-27)23-9-8-21(29-30-23)20-7-5-17(13-22(20)33)18-6-10-24(34)28-16-18/h5-10,13,16,19,31,33H,11-12,14-15H2,1-4H3,(H,28,34)
InChIKeyWPDSJIWSOGIPKX-UHFFFAOYSA-N
XLogP4.29
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
US11208399, Example 4
CID 155284580
US11208399, Example 47
CID 155284633
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686
US11208399, Example 53
CID 155284733
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
3-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
CID 136253058
4-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-methylpyridin-2-one
CID 154598823
4-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-(fluoromethyl)pyridin-2-one
CID 154598827
US11208399, Example 36
CID 155284703

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one (CID 137464812) is 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one is CC1(C)CC(N(CCF)c2ccc(-c3ccc(-c4ccc(=O)[nH]c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
The InChIKey is WPDSJIWSOGIPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-25(2)14-19(15-26(3,4)31-25)32(12-11-27)23-9-8-21(29-30-23)20-7-5-17(13-22(20)33)18-6-10-24(34)28-16-18/h5-10,13,16,19,31,33H,11-12,14-15H2,1-4H3,(H,28,34).
What are the key properties of 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one?
5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one has a molecular weight of 465.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-hydroxyphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 137464812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).