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

C24H23N7O5 — CID 71823858

IUPAC6-[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
SMILESO=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H23N7O5/c32-21-7-5-17(24-26-23(28-36-24)16-4-6-18-19(13-16)35-15-34-18)27-31(21)14-22(33)30-11-9-29(10-12-30)20-3-1-2-8-25-20/h1-4,6,8,13H,5,7,9-12,14-15H2
InChIKeyYWZUOLZJGYQVHV-UHFFFAOYSA-N
MW489.49 g/mol
LogP1.54
Rot. Bonds5

About 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

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 (PubChem CID 71823858) has the molecular formula C24H23N7O5 and a molecular weight of 489.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID71823858
Molecular FormulaC24H23N7O5
Molecular Weight489.49 g/mol
Exact Mass489.18
IUPAC Name6-[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
SMILESO=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H23N7O5/c32-21-7-5-17(24-26-23(28-36-24)16-4-6-18-19(13-16)35-15-34-18)27-31(21)14-22(33)30-11-9-29(10-12-30)20-3-1-2-8-25-20/h1-4,6,8,13H,5,7,9-12,14-15H2
InChIKeyYWZUOLZJGYQVHV-UHFFFAOYSA-N
XLogP1.54
TPSA126.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

6-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydropyridazin-3-one
CID 71823857
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
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
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide
CID 71823910
2-[4-[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 71823851
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-propylacetamide
CID 71823845
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-butyl-N-ethylacetamide
CID 71823901
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
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53367203
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53367215
methyl 4-[[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]acetyl]amino]benzoate
CID 53367233

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 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?
The InChIKey is YWZUOLZJGYQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O5/c32-21-7-5-17(24-26-23(28-36-24)16-4-6-18-19(13-16)35-15-34-18)27-31(21)14-22(33)30-11-9-29(10-12-30)20-3-1-2-8-25-20/h1-4,6,8,13H,5,7,9-12,14-15H2.
What are the key properties of 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?
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 has a molecular weight of 489.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71823858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).