2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one

C25H26N6O4 — CID 71823943

IUPAC2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one
SMILESCOc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccccc5)no4)CCC3=O)CC2)c1
InChIInChI=1S/C25H26N6O4/c1-34-20-9-5-8-19(16-20)29-12-14-30(15-13-29)23(33)17-31-22(32)11-10-21(27-31)25-26-24(28-35-25)18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3
InChIKeyDEJAXYDTCFFEHY-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one

2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one (PubChem CID 71823943) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one
PubChem CID71823943
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one
SMILESCOc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccccc5)no4)CCC3=O)CC2)c1
InChIInChI=1S/C25H26N6O4/c1-34-20-9-5-8-19(16-20)29-12-14-30(15-13-29)23(33)17-31-22(32)11-10-21(27-31)25-26-24(28-35-25)18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3
InChIKeyDEJAXYDTCFFEHY-UHFFFAOYSA-N
XLogP2.42
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

4-[2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 71823930
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dihydropyridazin-3-one
CID 71823865
N-(3,4-dimethoxyphenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53367143
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823858
2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide
CID 71823958
6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823876
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 9303326
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 50764359
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one (CID 71823943) is 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one is COc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccccc5)no4)CCC3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one?
The InChIKey is DEJAXYDTCFFEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-34-20-9-5-8-19(16-20)29-12-14-30(15-13-29)23(33)17-31-22(32)11-10-21(27-31)25-26-24(28-35-25)18-6-3-2-4-7-18/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one?
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one has a molecular weight of 474.52 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 71823943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).