2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C20H22N6O3 — CID 122334072

IUPAC2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCN(C)c1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)nn1
InChIInChI=1S/C20H22N6O3/c1-23(2)16-7-8-17(22-21-16)24-9-11-25(12-10-24)18(27)13-26-19(28)14-5-3-4-6-15(14)20(26)29/h3-8H,9-13H2,1-2H3
InChIKeyDVGGBLFQDPNNIR-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.49
Rot. Bonds4

About 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 122334072) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID122334072
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCN(C)c1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)nn1
InChIInChI=1S/C20H22N6O3/c1-23(2)16-7-8-17(22-21-16)24-9-11-25(12-10-24)18(27)13-26-19(28)14-5-3-4-6-15(14)20(26)29/h3-8H,9-13H2,1-2H3
InChIKeyDVGGBLFQDPNNIR-UHFFFAOYSA-N
XLogP0.49
TPSA89.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121054075
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
2-[2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121023220
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
2-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 122334965
2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122334104
4-[2-(1,3-dioxoisoindol-2-yl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 108568408
2-[2-oxo-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 122343794
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 122334072) is 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is CN(C)c1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)nn1.
What is the InChIKey of 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is DVGGBLFQDPNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-23(2)16-7-8-17(22-21-16)24-9-11-25(12-10-24)18(27)13-26-19(28)14-5-3-4-6-15(14)20(26)29/h3-8H,9-13H2,1-2H3.
What are the key properties of 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 394.44 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 122334072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).