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

C24H25N7O4 — CID 90517663

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

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (PubChem CID 90517663) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 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)propanamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
• PubChem CID: 90517663
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
• SMILES: CCOc1ccc(-c2ccc(=O)n(CCNC(=O)C(C)n3nc(-n4cccn4)ccc3=O)n2)cc1
• InChI: InChI=1S/C24H25N7O4/c1-3-35-19-7-5-18(6-8-19)20-9-11-22(32)30(27-20)16-14-25-24(34)17(2)31-23(33)12-10-21(28-31)29-15-4-13-26-29/h4-13,15,17H,3,14,16H2,1-2H3,(H,25,34)
• InChIKey: FWORIFPAEPTVFP-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 125.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	1.43
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)propanamide?

The IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (CID 90517663) is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.

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)propanamide?

The canonical SMILES for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is CCOc1ccc(-c2ccc(=O)n(CCNC(=O)C(C)n3nc(-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)propanamide?

The InChIKey is FWORIFPAEPTVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-3-35-19-7-5-18(6-8-19)20-9-11-22(32)30(27-20)16-14-25-24(34)17(2)31-23(33)12-10-21(28-31)29-15-4-13-26-29/h4-13,15,17H,3,14,16H2,1-2H3,(H,25,34).

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)propanamide?

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide has a molecular weight of 475.51 g/mol, XLogP of 1.43, 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)propanamide is sourced from PubChem (CID 90517663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).