N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

C23H23N7O4 — CID 90517415

About N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517415) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
• PubChem CID: 90517415
• Molecular Formula: C23H23N7O4
• Molecular Weight: 461.48 g/mol
• Exact Mass: 461.18
• IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
• SMILES: CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3nc(-n4cccn4)ccc3=O)n2)cc1
• InChI: InChI=1S/C23H23N7O4/c1-2-34-18-6-4-17(5-7-18)19-8-10-22(32)29(26-19)15-13-24-21(31)16-30-23(33)11-9-20(27-30)28-14-3-12-25-28/h3-12,14H,2,13,15-16H2,1H3,(H,24,31)
• InChIKey: STXYEIGFYHCPFO-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 125.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.48
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517415) is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

What is the SMILES notation for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The canonical SMILES for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3nc(-n4cccn4)ccc3=O)n2)cc1.

What is the InChIKey of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The InChIKey is STXYEIGFYHCPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-2-34-18-6-4-17(5-7-18)19-8-10-22(32)29(26-19)15-13-24-21(31)16-30-23(33)11-9-20(27-30)28-14-3-12-25-28/h3-12,14H,2,13,15-16H2,1H3,(H,24,31).

What are the key properties of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 461.48 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).