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

C21H21N5O4 — CID 121101090

IUPAC2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C21H21N5O4/c1-15(26-19(27)5-4-17(23-26)16-6-8-22-9-7-16)20(28)24-10-12-25(13-11-24)21(29)18-3-2-14-30-18/h2-9,14-15H,10-13H2,1H3
InChIKeyJKIZXQIYXXBQMA-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.44
Rot. Bonds4

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

2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 121101090) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID121101090
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C21H21N5O4/c1-15(26-19(27)5-4-17(23-26)16-6-8-22-9-7-16)20(28)24-10-12-25(13-11-24)21(29)18-3-2-14-30-18/h2-9,14-15H,10-13H2,1H3
InChIKeyJKIZXQIYXXBQMA-UHFFFAOYSA-N
XLogP1.44
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076479
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052354
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076117
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2-benzothiazol-3-one
CID 22514868
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one (CID 121101090) is 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one is CC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is JKIZXQIYXXBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-15(26-19(27)5-4-17(23-26)16-6-8-22-9-7-16)20(28)24-10-12-25(13-11-24)21(29)18-3-2-14-30-18/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one?
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 407.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 121101090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).