6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one

C24H27N7O2 — CID 159988767

IUPAC6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(C5=CC(=O)CC=N5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H27N7O2/c1-23(2)12-15(13-24(3,4)29-23)31-22-20(27-30-31)11-19(26-28-22)17-6-5-14(9-21(17)33)18-10-16(32)7-8-25-18/h5-6,8-11,15,29,33H,7,12-13H2,1-4H3
InChIKeyDMKZVWTWHIEINX-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.46
Rot. Bonds3

About 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one

6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one (PubChem CID 159988767) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one.

Molecular Properties

Compound Name6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one
PubChem CID159988767
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(C5=CC(=O)CC=N5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H27N7O2/c1-23(2)12-15(13-24(3,4)29-23)31-22-20(27-30-31)11-19(26-28-22)17-6-5-14(9-21(17)33)18-10-16(32)7-8-25-18/h5-6,8-11,15,29,33H,7,12-13H2,1-4H3
InChIKeyDMKZVWTWHIEINX-UHFFFAOYSA-N
XLogP3.46
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 156699230
5-(1H-imidazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699351
5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699125
2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
CID 156699127
5-[2-(difluoromethoxy)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699055
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;hydrochloride
CID 156699173
5-[2-(difluoromethoxy)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;hydrochloride
CID 156699341
4-fluoro-5-(4-hydroxyphenyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699206
2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,2,4-triazol-4-yl)phenol;hydrochloride
CID 156699190
5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;dihydrochloride
CID 156699204
(3E)-3-hydroxyimino-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-1,2-dihydroinden-5-ol
CID 156699115

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one?
The IUPAC name of 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one (CID 159988767) is 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one.
What is the SMILES notation for 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one?
The canonical SMILES for 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one is CC1(C)CC(n2nnc3cc(-c4ccc(C5=CC(=O)CC=N5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one?
The InChIKey is DMKZVWTWHIEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-23(2)12-15(13-24(3,4)29-23)31-22-20(27-30-31)11-19(26-28-22)17-6-5-14(9-21(17)33)18-10-16(32)7-8-25-18/h5-6,8-11,15,29,33H,7,12-13H2,1-4H3.
What are the key properties of 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one?
6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one has a molecular weight of 445.53 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-3H-pyridin-4-one is sourced from PubChem (CID 159988767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).