1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C16H20N6OS — CID 95273942

About 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 95273942) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 95273942
• Molecular Formula: C16H20N6OS
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.14
• IUPAC Name: 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CCc1nnc(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)s1
• InChI: InChI=1S/C16H20N6OS/c1-5-10(4)22-14-12(8-17-22)11(7-9(3)18-14)15(23)19-16-21-20-13(6-2)24-16/h7-8,10H,5-6H2,1-4H3,(H,19,21,23)/t10-/m1/s1
• InChIKey: KFYMKESSCWJHPW-SNVBAGLBSA-N
• XLogP: 3.38
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 95273942) is 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is CCc1nnc(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)s1.

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

The InChIKey is KFYMKESSCWJHPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-5-10(4)22-14-12(8-17-22)11(7-9(3)18-14)15(23)19-16-21-20-13(6-2)24-16/h7-8,10H,5-6H2,1-4H3,(H,19,21,23)/t10-/m1/s1.

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

1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95273942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).