6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C25H28N4O3 — CID 121050965

IUPAC6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-19-7-9-20(10-8-19)23-11-12-24(30)29(26-23)18-25(31)28-15-13-27(14-16-28)21-5-4-6-22(17-21)32-2/h4-12,17H,3,13-16,18H2,1-2H3
InChIKeyZLLFGYZNDFXDSB-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.83
Rot. Bonds6

About 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 121050965) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID121050965
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-3-19-7-9-20(10-8-19)23-11-12-24(30)29(26-23)18-25(31)28-15-13-27(14-16-28)21-5-4-6-22(17-21)32-2/h4-12,17H,3,13-16,18H2,1-2H3
InChIKeyZLLFGYZNDFXDSB-UHFFFAOYSA-N
XLogP2.83
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121050859
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
CID 121063732
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-(4-ethylphenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926120
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(4-ethylphenyl)pyridazin-3-one
CID 121051013

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 121050965) is 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZLLFGYZNDFXDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-19-7-9-20(10-8-19)23-11-12-24(30)29(26-23)18-25(31)28-15-13-27(14-16-28)21-5-4-6-22(17-21)32-2/h4-12,17H,3,13-16,18H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 432.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 121050965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).