(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C21H24N6O2 — CID 122346868

About (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122346868) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122346868
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cc(C)oc4C)CC3)nn2)c1
• InChI: InChI=1S/C21H24N6O2/c1-14-6-7-22-19(12-14)23-18-4-5-20(25-24-18)26-8-10-27(11-9-26)21(28)17-13-15(2)29-16(17)3/h4-7,12-13H,8-11H2,1-3H3,(H,22,23,24)
• InChIKey: MOVVHBZJOBNPAO-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122346868) is (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cc(C)oc4C)CC3)nn2)c1.

What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is MOVVHBZJOBNPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-6-7-22-19(12-14)23-18-4-5-20(25-24-18)26-8-10-27(11-9-26)21(28)17-13-15(2)29-16(17)3/h4-7,12-13H,8-11H2,1-3H3,(H,22,23,24).

What are the key properties of (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122346868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).