6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

C23H26N6O2S — CID 122347259

IUPAC6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C23H26N6O2S/c1-18-6-8-20(9-7-18)12-17-32(30,31)29-15-13-28(14-16-29)23-11-10-22(26-27-23)25-21-5-3-4-19(2)24-21/h3-12,17H,13-16H2,1-2H3,(H,24,25,26)/b17-12+
InChIKeyZNPWMQODOJTTOE-SFQUDFHCSA-N
MW450.57 g/mol
LogP3.35
Rot. Bonds6

About 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122347259) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122347259
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C23H26N6O2S/c1-18-6-8-20(9-7-18)12-17-32(30,31)29-15-13-28(14-16-29)23-11-10-22(26-27-23)25-21-5-3-4-19(2)24-21/h3-12,17H,13-16H2,1-2H3,(H,24,25,26)/b17-12+
InChIKeyZNPWMQODOJTTOE-SFQUDFHCSA-N
XLogP3.35
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347255
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 56700396
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347291
6-[4-[2-(4-methylphenyl)ethenylsulfonyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 71961435
6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347284
3-(2,4-dichlorophenyl)-6-[4-[(Z)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 121060791
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 122347059
N-[3-methyl-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122347279
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (CID 122347259) is 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is ZNPWMQODOJTTOE-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-18-6-8-20(9-7-18)12-17-32(30,31)29-15-13-28(14-16-29)23-11-10-22(26-27-23)25-21-5-3-4-19(2)24-21/h3-12,17H,13-16H2,1-2H3,(H,24,25,26)/b17-12+.
What are the key properties of 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 450.57 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122347259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).