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

C24H25N5O2S — CID 121058652

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

1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121058652) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 121058652
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: Cc1ccc(N2CC(C(=O)N3CCN(c4ccc(-c5cccs5)nn4)CC3)CC2=O)cc1
• InChI: InChI=1S/C24H25N5O2S/c1-17-4-6-19(7-5-17)29-16-18(15-23(29)30)24(31)28-12-10-27(11-13-28)22-9-8-20(25-26-22)21-3-2-14-32-21/h2-9,14,18H,10-13,15-16H2,1H3
• InChIKey: IAVOJKAMNYZXLZ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 69.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 121058652) is 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCN(c4ccc(-c5cccs5)nn4)CC3)CC2=O)cc1.

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

The InChIKey is IAVOJKAMNYZXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-17-4-6-19(7-5-17)29-16-18(15-23(29)30)24(31)28-12-10-27(11-13-28)22-9-8-20(25-26-22)21-3-2-14-32-21/h2-9,14,18H,10-13,15-16H2,1H3.

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

1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 447.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121058652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).