4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C26H37N5O — CID 137389769

IUPAC4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESC=Nc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)cc1/C=C(\C)CC
InChIInChI=1S/C26H37N5O/c1-9-17(2)12-18-13-20(23(32)14-22(18)27-7)21-10-11-24(29-28-21)31(8)19-15-25(3,4)30-26(5,6)16-19/h10-14,19,30,32H,7,9,15-16H2,1-6,8H3/b17-12+
InChIKeyCTSWPGNXFLUTIR-SFQUDFHCSA-N
MW435.62 g/mol
LogP5.74
Rot. Bonds6

About 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 137389769) has the molecular formula C26H37N5O and a molecular weight of 435.62 g/mol. Its IUPAC name is 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID137389769
Molecular FormulaC26H37N5O
Molecular Weight435.62 g/mol
Exact Mass435.30
IUPAC Name4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESC=Nc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)cc1/C=C(\C)CC
InChIInChI=1S/C26H37N5O/c1-9-17(2)12-18-13-20(23(32)14-22(18)27-7)21-10-11-24(29-28-21)31(8)19-15-25(3,4)30-26(5,6)16-19/h10-14,19,30,32H,7,9,15-16H2,1-6,8H3/b17-12+
InChIKeyCTSWPGNXFLUTIR-SFQUDFHCSA-N
XLogP5.74
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 137389769) is 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is C=Nc1cc(O)c(-c2ccc(N(C)C3CC(C)(C)NC(C)(C)C3)nn2)cc1/C=C(\C)CC.
What is the InChIKey of 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is CTSWPGNXFLUTIR-SFQUDFHCSA-N. The full InChI is InChI=1S/C26H37N5O/c1-9-17(2)12-18-13-20(23(32)14-22(18)27-7)21-10-11-24(29-28-21)31(8)19-15-25(3,4)30-26(5,6)16-19/h10-14,19,30,32H,7,9,15-16H2,1-6,8H3/b17-12+.
What are the key properties of 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 435.62 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137389769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).