1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C20H18N4O4 — CID 18569361

IUPAC1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H18N4O4/c25-20(14-3-5-17-18(12-14)28-13-27-17)24-9-7-23(8-10-24)19-6-4-15(21-22-19)16-2-1-11-26-16/h1-6,11-12H,7-10,13H2
InChIKeyDTAOKEJKZIHZHP-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.43
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 18569361) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID18569361
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H18N4O4/c25-20(14-3-5-17-18(12-14)28-13-27-17)24-9-7-23(8-10-24)19-6-4-15(21-22-19)16-2-1-11-26-16/h1-6,11-12H,7-10,13H2
InChIKeyDTAOKEJKZIHZHP-UHFFFAOYSA-N
XLogP2.43
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 18569361) is 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DTAOKEJKZIHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-20(14-3-5-17-18(12-14)28-13-27-17)24-9-7-23(8-10-24)19-6-4-15(21-22-19)16-2-1-11-26-16/h1-6,11-12H,7-10,13H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 378.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 18569361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).