[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C22H22N4O4 — CID 121058794

About [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 121058794) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
• PubChem CID: 121058794
• Molecular Formula: C22H22N4O4
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.16
• IUPAC Name: [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
• SMILES: CC1Oc2ccccc2OC1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
• InChI: InChI=1S/C22H22N4O4/c1-15-21(30-19-6-3-2-5-18(19)29-15)22(27)26-12-10-25(11-13-26)20-9-8-16(23-24-20)17-7-4-14-28-17/h2-9,14-15,21H,10-13H2,1H3
• InChIKey: RQBDKBCQGRWDNY-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 80.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The IUPAC name of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 121058794) is [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

What is the SMILES notation for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The canonical SMILES for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is CC1Oc2ccccc2OC1C(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.

What is the InChIKey of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The InChIKey is RQBDKBCQGRWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-21(30-19-6-3-2-5-18(19)29-15)22(27)26-12-10-25(11-13-26)20-9-8-16(23-24-20)17-7-4-14-28-17/h2-9,14-15,21H,10-13H2,1H3.

What are the key properties of [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 406.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 121058794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).