2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

C23H28N8O — CID 156699074

IUPAC2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN1C(C)(C)CC(n2nnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC1(C)C
InChIInChI=1S/C23H28N8O/c1-22(2)10-16(11-23(3,4)30(22)5)31-21-19(27-29-31)9-18(26-28-21)17-7-6-14(8-20(17)32)15-12-24-25-13-15/h6-9,12-13,16,32H,10-11H2,1-5H3,(H,24,25)
InChIKeyFSQSBVAAQCSWCM-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.81
Rot. Bonds3

About 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol

2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 156699074) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID156699074
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN1C(C)(C)CC(n2nnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC1(C)C
InChIInChI=1S/C23H28N8O/c1-22(2)10-16(11-23(3,4)30(22)5)31-21-19(27-29-31)9-18(26-28-21)17-7-6-14(8-20(17)32)15-12-24-25-13-15/h6-9,12-13,16,32H,10-11H2,1-5H3,(H,24,25)
InChIKeyFSQSBVAAQCSWCM-UHFFFAOYSA-N
XLogP3.81
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
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-[(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
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
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-[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-(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
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-[2-(difluoromethoxy)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;hydrochloride
CID 156699341
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 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) is 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is CN1C(C)(C)CC(n2nnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC1(C)C.
What is the InChIKey of 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is FSQSBVAAQCSWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-22(2)10-16(11-23(3,4)30(22)5)31-21-19(27-29-31)9-18(26-28-21)17-7-6-14(8-20(17)32)15-12-24-25-13-15/h6-9,12-13,16,32H,10-11H2,1-5H3,(H,24,25).
What are the key properties of 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 432.53 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 156699074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).