5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

C22H27N5O2 — CID 136598272

IUPAC5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3
InChIKeyFVEWBLFCYMUGNY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.72
Rot. Bonds4

About 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (PubChem CID 136598272) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
PubChem CID136598272
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3
InChIKeyFVEWBLFCYMUGNY-UHFFFAOYSA-N
XLogP3.72
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Branaplam
CID 135565042
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
2-(6-(piperidin-4-yloxy)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253061
5-[4-(Hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136598247
4-fluoro-2-[6-[[(1R,2S,3R,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162649625
4-fluoro-2-[6-[[(1S,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162676714
2-[6-(3,3-Difluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 145982093
Branaplam Hydrochloride
CID 135565041
5-Pyrazol-1-yl-2-[6-[2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazin-3-yl]phenol
CID 145992475
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridin-4-amine
CID 172448329
2-[6-(3-Fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 136598239
1-[(2S)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-5-[3-(trifluoromethyl)pyridin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 138607811

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol (CID 136598272) is 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is CC1(C)CC(Oc2ccc(-c3ccc(-n4cccn4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
The InChIKey is FVEWBLFCYMUGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-21(2)13-16(14-22(3,4)26-21)29-20-9-8-18(24-25-20)17-7-6-15(12-19(17)28)27-11-5-10-23-27/h5-12,16,26,28H,13-14H2,1-4H3.
What are the key properties of 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol?
5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol has a molecular weight of 393.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 136598272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).