4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

C23H25N7O3 — CID 90539545

About 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 90539545) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
• PubChem CID: 90539545
• Molecular Formula: C23H25N7O3
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
• SMILES: COc1cccc(N2CC(C(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)CC2=O)c1
• InChI: InChI=1S/C23H25N7O3/c1-33-19-4-2-3-18(14-19)30-15-17(13-22(30)31)23(32)28-11-9-27(10-12-28)20-5-6-21(26-25-20)29-8-7-24-16-29/h2-8,14,16-17H,9-13,15H2,1H3
• InChIKey: PMJWETPNJBTBKI-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 96.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?

The IUPAC name of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 90539545) is 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

What is the SMILES notation for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?

The canonical SMILES for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCN(c4ccc(-n5ccnc5)nn4)CC3)CC2=O)c1.

What is the InChIKey of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?

The InChIKey is PMJWETPNJBTBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-33-19-4-2-3-18(14-19)30-15-17(13-22(30)31)23(32)28-11-9-27(10-12-28)20-5-6-21(26-25-20)29-8-7-24-16-29/h2-8,14,16-17H,9-13,15H2,1H3.

What are the key properties of 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?

4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 447.50 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90539545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).