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

C16H20N4O5S — CID 56723991

IUPAC6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C16H20N4O5S/c1-12(16(22)18-7-9-19(10-8-18)26(2,23)24)20-15(21)6-5-13(17-20)14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOWUKXONOQPISFH-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.17
Rot. Bonds4

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

6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 56723991) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID56723991
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C16H20N4O5S/c1-12(16(22)18-7-9-19(10-8-18)26(2,23)24)20-15(21)6-5-13(17-20)14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOWUKXONOQPISFH-UHFFFAOYSA-N
XLogP0.17
TPSA105.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 56723991) is 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is CC(C(=O)N1CCN(S(C)(=O)=O)CC1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is OWUKXONOQPISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-12(16(22)18-7-9-19(10-8-18)26(2,23)24)20-15(21)6-5-13(17-20)14-4-3-11-25-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 380.43 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 56723991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).