1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C17H17BrN6O2S — CID 91903482

About 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 91903482) has the molecular formula C17H17BrN6O2S and a molecular weight of 449.33 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 91903482
• Molecular Formula: C17H17BrN6O2S
• Molecular Weight: 449.33 g/mol
• Exact Mass: 448.03
• IUPAC Name: 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: CCCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1
• InChI: InChI=1S/C17H17BrN6O2S/c1-2-3-13-21-23-17(27-13)19-16(26)9-6-14(25)24(8-9)15-11-5-4-10(18)7-12(11)20-22-15/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22)(H,19,23,26)
• InChIKey: JJFJCEDCHQKHMT-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.33
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 91903482) is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCc1nnc(NC(=O)C2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1.

What is the InChIKey of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is JJFJCEDCHQKHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O2S/c1-2-3-13-21-23-17(27-13)19-16(26)9-6-14(25)24(8-9)15-11-5-4-10(18)7-12(11)20-22-15/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22)(H,19,23,26).

What are the key properties of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?

1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 449.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91903482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).