1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C22H19N5O3S2 — CID 55476928

About 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55476928) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 55476928
• Molecular Formula: C22H19N5O3S2
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.09
• IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CC(OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1nnc(-c2cccs2)o1
• InChI: InChI=1S/C22H19N5O3S2/c1-12(2)27-19-15(11-23-27)14(10-16(24-19)17-6-4-8-31-17)22(28)29-13(3)20-25-26-21(30-20)18-7-5-9-32-18/h4-13H,1-3H3
• InChIKey: SCGUYEUOVUBUKR-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 95.93 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 55476928) is 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CC(OC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)c1nnc(-c2cccs2)o1.

What is the InChIKey of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is SCGUYEUOVUBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-12(2)27-19-15(11-23-27)14(10-16(24-19)17-6-4-8-31-17)22(28)29-13(3)20-25-26-21(30-20)18-7-5-9-32-18/h4-13H,1-3H3.

What are the key properties of 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 465.56 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55476928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).