2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

C21H21FN4O3 — CID 121076117

IUPAC2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H21FN4O3/c1-15(26-20(27)9-8-17(23-26)19-7-4-14-29-19)21(28)25-12-10-24(11-13-25)18-6-3-2-5-16(18)22/h2-9,14-15H,10-13H2,1H3
InChIKeyOCNUJXLHUCZGDT-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.55
Rot. Bonds4

About 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 121076117) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID121076117
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C21H21FN4O3/c1-15(26-20(27)9-8-17(23-26)19-7-4-14-29-19)21(28)25-12-10-24(11-13-25)18-6-3-2-5-16(18)22/h2-9,14-15H,10-13H2,1H3
InChIKeyOCNUJXLHUCZGDT-UHFFFAOYSA-N
XLogP2.55
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one
CID 121079760
6-(furan-2-yl)-2-[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 121075997
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053794
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076479
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one (CID 121076117) is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is CC(C(=O)N1CCN(c2ccccc2F)CC1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is OCNUJXLHUCZGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-15(26-20(27)9-8-17(23-26)19-7-4-14-29-19)21(28)25-12-10-24(11-13-25)18-6-3-2-5-16(18)22/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one?
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 396.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 121076117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).