3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride

C23H28ClN7O2 — CID 156699216

IUPAC3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride
SMILESCC1(C)CC(n2c(=O)[nH]c3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Cl
InChIInChI=1S/C23H27N7O2.ClH/c1-22(2)9-15(10-23(3,4)29-22)30-20-18(26-21(30)32)8-17(27-28-20)16-6-5-13(7-19(16)31)14-11-24-25-12-14;/h5-8,11-12,15,29,31H,9-10H2,1-4H3,(H,24,25)(H,26,32);1H
InChIKeyQYYWKAYYHYKFEM-UHFFFAOYSA-N
MW469.98 g/mol
LogP3.79
Rot. Bonds3

About 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride

3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride (PubChem CID 156699216) has the molecular formula C23H28ClN7O2 and a molecular weight of 469.98 g/mol. Its IUPAC name is 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride
PubChem CID156699216
Molecular FormulaC23H28ClN7O2
Molecular Weight469.98 g/mol
Exact Mass469.20
IUPAC Name3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride
SMILESCC1(C)CC(n2c(=O)[nH]c3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Cl
InChIInChI=1S/C23H27N7O2.ClH/c1-22(2)9-15(10-23(3,4)29-22)30-20-18(26-21(30)32)8-17(27-28-20)16-6-5-13(7-19(16)31)14-11-24-25-12-14;/h5-8,11-12,15,29,31H,9-10H2,1-4H3,(H,24,25)(H,26,32);1H
InChIKeyQYYWKAYYHYKFEM-UHFFFAOYSA-N
XLogP3.79
TPSA124.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.98
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride
CID 156699225
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazine;3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazine;2-[6-methyl-7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157450231
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 156699232
2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155025619
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 156699233
2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 156699074
6-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazine;hydrochloride
CID 156699155
(3S,4S)-4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazin-3-yl]amino]-2,2,6,6-tetramethylpiperidin-3-ol;dihydrochloride
CID 139536735
2-[6-[2-azaspiro[3.3]heptan-6-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 153383284
4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one
CID 156699262
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]phenol
CID 137464849

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride?
The IUPAC name of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride (CID 156699216) is 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride is CC1(C)CC(n2c(=O)[nH]c3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.Cl.
What is the InChIKey of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride?
The InChIKey is QYYWKAYYHYKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2.ClH/c1-22(2)9-15(10-23(3,4)29-22)30-20-18(26-21(30)32)8-17(27-28-20)16-6-5-13(7-19(16)31)14-11-24-25-12-14;/h5-8,11-12,15,29,31H,9-10H2,1-4H3,(H,24,25)(H,26,32);1H.
What are the key properties of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride?
3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride has a molecular weight of 469.98 g/mol, XLogP of 3.79, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride is sourced from PubChem (CID 156699216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).