N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H22N6O2S — CID 18292377

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18292377) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 18292377
• Molecular Formula: C21H22N6O2S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.15
• IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3nnc(C4CCCCC4)s3)c12
• InChI: InChI=1S/C21H22N6O2S/c1-12-17-14(11-15(16-9-6-10-29-16)22-18(17)27(2)26-12)19(28)23-21-25-24-20(30-21)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,23,25,28)
• InChIKey: HXDTZKIFBINJDR-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 18292377) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3nnc(C4CCCCC4)s3)c12.

What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HXDTZKIFBINJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c1-12-17-14(11-15(16-9-6-10-29-16)22-18(17)27(2)26-12)19(28)23-21-25-24-20(30-21)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,23,25,28).

What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).