6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

C24H26N4O4 — CID 16811039

IUPAC6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C24H26N4O4/c1-31-19-8-9-20(22(16-19)32-2)21-10-11-23(29)28(25-21)17-24(30)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyAEWUICBZCINLSL-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.28
Rot. Bonds6

About 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 16811039) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID16811039
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)c(OC)c1
InChIInChI=1S/C24H26N4O4/c1-31-19-8-9-20(22(16-19)32-2)21-10-11-23(29)28(25-21)17-24(30)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyAEWUICBZCINLSL-UHFFFAOYSA-N
XLogP2.28
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
2-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 121050754
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 16811039) is 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is AEWUICBZCINLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-19-8-9-20(22(16-19)32-2)21-10-11-23(29)28(25-21)17-24(30)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 434.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 16811039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).