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

C27H25FN6O2 — CID 122351498

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

[3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122351498) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122351498
• Molecular Formula: C27H25FN6O2
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.20
• IUPAC Name: [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cccc(Oc5ccc(F)cc5)c4)CC3)nn2)nc1
• InChI: InChI=1S/C27H25FN6O2/c1-19-5-10-24(29-18-19)30-25-11-12-26(32-31-25)33-13-15-34(16-14-33)27(35)20-3-2-4-23(17-20)36-22-8-6-21(28)7-9-22/h2-12,17-18H,13-16H2,1H3,(H,29,30,31)
• InChIKey: LRUVMDVGTNZIRT-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122351498) is [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)c4cccc(Oc5ccc(F)cc5)c4)CC3)nn2)nc1.

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

The InChIKey is LRUVMDVGTNZIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-19-5-10-24(29-18-19)30-25-11-12-26(32-31-25)33-13-15-34(16-14-33)27(35)20-3-2-4-23(17-20)36-22-8-6-21(28)7-9-22/h2-12,17-18H,13-16H2,1H3,(H,29,30,31).

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

[3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 484.54 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenoxy)phenyl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122351498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).