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

C25H26N4O4 — CID 121050347

IUPAC2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-18(30)19-3-7-21(8-4-19)27-13-15-28(16-14-27)25(32)17-29-24(31)12-11-23(26-29)20-5-9-22(33-2)10-6-20/h3-12H,13-17H2,1-2H3
InChIKeyRDOGAYCFXZIXPR-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.47
Rot. Bonds6

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

2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 121050347) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID121050347
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-18(30)19-3-7-21(8-4-19)27-13-15-28(16-14-27)25(32)17-29-24(31)12-11-23(26-29)20-5-9-22(33-2)10-6-20/h3-12H,13-17H2,1-2H3
InChIKeyRDOGAYCFXZIXPR-UHFFFAOYSA-N
XLogP2.47
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 121050506
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
2-(4-fluorophenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 46857566
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513124
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 121050347) is 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1.
What is the InChIKey of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is RDOGAYCFXZIXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-18(30)19-3-7-21(8-4-19)27-13-15-28(16-14-27)25(32)17-29-24(31)12-11-23(26-29)20-5-9-22(33-2)10-6-20/h3-12H,13-17H2,1-2H3.
What are the key properties of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 446.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 121050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).