5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid

C20H20N6O4S — CID 122654221

About 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid

5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid (PubChem CID 122654221) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid
• PubChem CID: 122654221
• Molecular Formula: C20H20N6O4S
• Molecular Weight: 440.49 g/mol
• Exact Mass: 440.13
• IUPAC Name: 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid
• SMILES: O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc4c(cnn4C(=O)O)c3)C2)CC1
• InChI: InChI=1S/C20H20N6O4S/c27-17-10-15(23-4-6-24(7-5-23)19(28)18-21-3-8-31-18)12-25(17)14-1-2-16-13(9-14)11-22-26(16)20(29)30/h1-3,8-9,11,15H,4-7,10,12H2,(H,29,30)
• InChIKey: WPHCZWLWKWIHIY-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 111.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.49
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid?

The IUPAC name of 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid (CID 122654221) is 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid.

What is the SMILES notation for 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid?

The canonical SMILES for 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc4c(cnn4C(=O)O)c3)C2)CC1.

What is the InChIKey of 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid?

The InChIKey is WPHCZWLWKWIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c27-17-10-15(23-4-6-24(7-5-23)19(28)18-21-3-8-31-18)12-25(17)14-1-2-16-13(9-14)11-22-26(16)20(29)30/h1-3,8-9,11,15H,4-7,10,12H2,(H,29,30).

What are the key properties of 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid?

5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid has a molecular weight of 440.49 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid is sourced from PubChem (CID 122654221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).