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

C26H26BrN5O3 — CID 121060175

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

1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121060175) has the molecular formula C26H26BrN5O3 and a molecular weight of 536.43 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 121060175
• Molecular Formula: C26H26BrN5O3
• Molecular Weight: 536.43 g/mol
• Exact Mass: 535.12
• IUPAC Name: 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)C4CC(=O)N(c5cccc(Br)c5)C4)CC3)nn2)cc1
• InChI: InChI=1S/C26H26BrN5O3/c1-35-22-7-5-18(6-8-22)23-9-10-24(29-28-23)30-11-13-31(14-12-30)26(34)19-15-25(33)32(17-19)21-4-2-3-20(27)16-21/h2-10,16,19H,11-15,17H2,1H3
• InChIKey: JWGGEEWFXHFSCX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.43
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 121060175) is 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(-c2ccc(N3CCN(C(=O)C4CC(=O)N(c5cccc(Br)c5)C4)CC3)nn2)cc1.

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

The InChIKey is JWGGEEWFXHFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN5O3/c1-35-22-7-5-18(6-8-22)23-9-10-24(29-28-23)30-11-13-31(14-12-30)26(34)19-15-25(33)32(17-19)21-4-2-3-20(27)16-21/h2-10,16,19H,11-15,17H2,1H3.

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

1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 536.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121060175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).