2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

C22H27N7O3 — CID 44578855

About 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide

2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 44578855) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
• PubChem CID: 44578855
• Molecular Formula: C22H27N7O3
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.22
• IUPAC Name: 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
• SMILES: COc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1
• InChI: InChI=1S/C22H27N7O3/c1-32-19-5-3-2-4-18(19)27-14-12-26(13-15-27)10-9-24-21(30)16-29-22(31)7-6-20(25-29)28-11-8-23-17-28/h2-8,11,17H,9-10,12-16H2,1H3,(H,24,30)
• InChIKey: ZUCJFDAHTYHJNA-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 97.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?

The IUPAC name of 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide (CID 44578855) is 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is COc1ccccc1N1CCN(CCNC(=O)Cn2nc(-n3ccnc3)ccc2=O)CC1.

What is the InChIKey of 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?

The InChIKey is ZUCJFDAHTYHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-32-19-5-3-2-4-18(19)27-14-12-26(13-15-27)10-9-24-21(30)16-29-22(31)7-6-20(25-29)28-11-8-23-17-28/h2-8,11,17H,9-10,12-16H2,1H3,(H,24,30).

What are the key properties of 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide?

2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 44578855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).