1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C20H20N6OS — CID 51315677

About 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51315677) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51315677
• Molecular Formula: C20H20N6OS
• Molecular Weight: 392.49 g/mol
• Exact Mass: 392.14
• IUPAC Name: 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)Nc3nnc(C(C)C)s3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C20H20N6OS/c1-4-26-17-15(11-21-26)14(10-16(22-17)13-8-6-5-7-9-13)18(27)23-20-25-24-19(28-20)12(2)3/h5-12H,4H2,1-3H3,(H,23,25,27)
• InChIKey: RODXJNBKLNRKCK-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.49
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 51315677) is 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3nnc(C(C)C)s3)cc(-c3ccccc3)nc21.

What is the InChIKey of 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is RODXJNBKLNRKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-4-26-17-15(11-21-26)14(10-16(22-17)13-8-6-5-7-9-13)18(27)23-20-25-24-19(28-20)12(2)3/h5-12H,4H2,1-3H3,(H,23,25,27).

What are the key properties of 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51315677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).