2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C23H26N6O2 — CID 122347434

About 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122347434) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
• PubChem CID: 122347434
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
• SMILES: COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C
• InChI: InChI=1S/C23H26N6O2/c1-17-15-18(6-7-19(17)31-2)16-23(30)29-13-11-28(12-14-29)22-9-8-21(26-27-22)25-20-5-3-4-10-24-20/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26)
• InChIKey: WBZYETVAOQJENW-UHFFFAOYSA-N
• XLogP: 2.82
• 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	418.50
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122347434) is 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C.

What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?

The InChIKey is WBZYETVAOQJENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-17-15-18(6-7-19(17)31-2)16-23(30)29-13-11-28(12-14-29)22-9-8-21(26-27-22)25-20-5-3-4-10-24-20/h3-10,15H,11-14,16H2,1-2H3,(H,24,25,26).

What are the key properties of 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?

2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 418.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122347434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).