4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one

C24H28N4O3 — CID 136598240

IUPAC4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C24H28N4O3/c1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h5-12,17,28-29H,13-14H2,1-4H3,(H,25,30)
InChIKeyLBBBRWUUNXGXNH-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.89
Rot. Bonds4

About 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one

4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one (PubChem CID 136598240) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one
PubChem CID136598240
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C24H28N4O3/c1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h5-12,17,28-29H,13-14H2,1-4H3,(H,25,30)
InChIKeyLBBBRWUUNXGXNH-UHFFFAOYSA-N
XLogP3.89
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one (CID 136598240) is 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one is CC1(C)CC(Oc2ccc(-c3ccc(-c4cc[nH]c(=O)c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one?
The InChIKey is LBBBRWUUNXGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-23(2)13-17(14-24(3,4)28-23)31-22-8-7-19(26-27-22)18-6-5-15(11-20(18)29)16-9-10-25-21(30)12-16/h5-12,17,28-29H,13-14H2,1-4H3,(H,25,30).
What are the key properties of 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one?
4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 136598240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).