2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one

C20H19N5O4 — CID 121052354

IUPAC2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H19N5O4/c26-18-6-5-16(15-3-1-7-21-13-15)22-25(18)14-19(27)23-8-10-24(11-9-23)20(28)17-4-2-12-29-17/h1-7,12-13H,8-11,14H2
InChIKeyDAMDXPXVEUSBMO-UHFFFAOYSA-N
MW393.40 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 121052354) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID121052354
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H19N5O4/c26-18-6-5-16(15-3-1-7-21-13-15)22-25(18)14-19(27)23-8-10-24(11-9-23)20(28)17-4-2-12-29-17/h1-7,12-13H,8-11,14H2
InChIKeyDAMDXPXVEUSBMO-UHFFFAOYSA-N
XLogP0.88
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
CID 121101090
furan-2-yl-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133462677
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365181
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 35334673
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one (CID 121052354) is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one is O=C(Cn1nc(-c2cccnc2)ccc1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is DAMDXPXVEUSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c26-18-6-5-16(15-3-1-7-21-13-15)22-25(18)14-19(27)23-8-10-24(11-9-23)20(28)17-4-2-12-29-17/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 393.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 121052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).