1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone

C23H24N6O2 — CID 122347231

About 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone

1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone (PubChem CID 122347231) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
• PubChem CID: 122347231
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1
• InChI: InChI=1S/C23H24N6O2/c1-16-4-3-5-20(24-16)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(31)19-8-6-18(7-9-19)17(2)30/h3-11H,12-15H2,1-2H3,(H,24,25,26)
• InChIKey: UDCPLFIFBDBUKD-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone?

The IUPAC name of 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone (CID 122347231) is 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone?

The canonical SMILES for 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1.

What is the InChIKey of 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone?

The InChIKey is UDCPLFIFBDBUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-4-3-5-20(24-16)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(31)19-8-6-18(7-9-19)17(2)30/h3-11H,12-15H2,1-2H3,(H,24,25,26).

What are the key properties of 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone?

1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone has a molecular weight of 416.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 122347231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).