3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C22H32N4O3 — CID 136633745

IUPAC3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1
InChIInChI=1S/C22H32N4O3/c1-21(2)12-14(13-22(3,4)25-21)26(5)19-9-8-16(23-24-19)20-17(27)10-15(28-6)11-18(20)29-7/h8-11,14,25,27H,12-13H2,1-7H3
InChIKeyREJYCWQDHKKLPG-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.61
Rot. Bonds5

About 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136633745) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136633745
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCOc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1
InChIInChI=1S/C22H32N4O3/c1-21(2)12-14(13-22(3,4)25-21)26(5)19-9-8-16(23-24-19)20-17(27)10-15(28-6)11-18(20)29-7/h8-11,14,25,27H,12-13H2,1-7H3
InChIKeyREJYCWQDHKKLPG-UHFFFAOYSA-N
XLogP3.61
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136633745) is 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is COc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is REJYCWQDHKKLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-21(2)12-14(13-22(3,4)25-21)26(5)19-9-8-16(23-24-19)20-17(27)10-15(28-6)11-18(20)29-7/h8-11,14,25,27H,12-13H2,1-7H3.
What are the key properties of 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 400.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136633745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).