4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one

C24H27N7O2 — CID 156699262

IUPAC4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cc[nH]c(=O)c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H27N7O2/c1-23(2)12-16(13-24(3,4)29-23)31-22-19(27-30-31)11-18(26-28-22)17-6-5-14(9-20(17)32)15-7-8-25-21(33)10-15/h5-11,16,29,32H,12-13H2,1-4H3,(H,25,33)
InChIKeyURGQSLPAEMPRTI-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.43
Rot. Bonds3

About 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one

4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one (PubChem CID 156699262) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one
PubChem CID156699262
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cc[nH]c(=O)c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H27N7O2/c1-23(2)12-16(13-24(3,4)29-23)31-22-19(27-30-31)11-18(26-28-22)17-6-5-14(9-20(17)32)15-7-8-25-21(33)10-15/h5-11,16,29,32H,12-13H2,1-4H3,(H,25,33)
InChIKeyURGQSLPAEMPRTI-UHFFFAOYSA-N
XLogP3.43
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 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) is 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cc[nH]c(=O)c5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one?
The InChIKey is URGQSLPAEMPRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-23(2)12-16(13-24(3,4)29-23)31-22-19(27-30-31)11-18(26-28-22)17-6-5-14(9-20(17)32)15-7-8-25-21(33)10-15/h5-11,16,29,32H,12-13H2,1-4H3,(H,25,33).
What are the key properties of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one?
4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 445.53 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 156699262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).