5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C24H32N6O2 — CID 136598247

IUPAC5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2ccc(-n3cc(CO)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O2/c1-23(2)11-18(12-24(3,4)28-23)29(5)22-9-8-20(26-27-22)19-7-6-17(10-21(19)32)30-14-16(15-31)13-25-30/h6-10,13-14,18,28,31-32H,11-12,15H2,1-5H3
InChIKeyHVYYWJDRZBFWQO-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.27
Rot. Bonds5

About 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136598247) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136598247
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2ccc(-n3cc(CO)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H32N6O2/c1-23(2)11-18(12-24(3,4)28-23)29(5)22-9-8-20(26-27-22)19-7-6-17(10-21(19)32)30-14-16(15-31)13-25-30/h6-10,13-14,18,28,31-32H,11-12,15H2,1-5H3
InChIKeyHVYYWJDRZBFWQO-UHFFFAOYSA-N
XLogP3.27
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol with MolForge

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Related Compounds

Votoplam
CID 147894286
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
2-(5-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)-1,3,4-thiadiazol-2-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136341345
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
Nvs-SM2
CID 136598218
5-Pyrazol-1-yl-2-[6-(2,2,6,6-tetramethyl-piperidin-4-yloxy)pyridazin-3-yl]-phenol
CID 136598272
6-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
CID 136607508
US10308614, Example 107
CID 137029420
US10308614, Example 68
CID 137029460
US10308614, Example 100
CID 137029519
US10308614, Example 94
CID 137045975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136598247) is 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CN(c1ccc(-c2ccc(-n3cc(CO)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is HVYYWJDRZBFWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-23(2)11-18(12-24(3,4)28-23)29(5)22-9-8-20(26-27-22)19-7-6-17(10-21(19)32)30-14-16(15-31)13-25-30/h6-10,13-14,18,28,31-32H,11-12,15H2,1-5H3.
What are the key properties of 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 436.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136598247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).