2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone

C22H23FN6O2 — CID 122351375

About 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122351375) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 122351375
• Molecular Formula: C22H23FN6O2
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.19
• IUPAC Name: 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone
• SMILES: Cc1ccc(Nc2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)nc1
• InChI: InChI=1S/C22H23FN6O2/c1-16-2-7-19(24-14-16)25-20-8-9-21(27-26-20)28-10-12-29(13-11-28)22(30)15-31-18-5-3-17(23)4-6-18/h2-9,14H,10-13,15H2,1H3,(H,24,25,26)
• InChIKey: CKULZKVHVWAWLH-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122351375) is 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone.

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

The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)nn2)nc1.

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

The InChIKey is CKULZKVHVWAWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-16-2-7-19(24-14-16)25-20-8-9-21(27-26-20)28-10-12-29(13-11-28)22(30)15-31-18-5-3-17(23)4-6-18/h2-9,14H,10-13,15H2,1H3,(H,24,25,26).

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

2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 422.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122351375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).