1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H23N5OS — CID 47044847

About 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 47044847) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 47044847
• Molecular Formula: C20H23N5OS
• Molecular Weight: 381.51 g/mol
• Exact Mass: 381.16
• IUPAC Name: 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3sccc3C#N)c12
• InChI: InChI=1S/C20H23N5OS/c1-11(2)15-9-14(18(26)23-19-13(10-21)7-8-27-19)16-12(3)24-25(17(16)22-15)20(4,5)6/h7-9,11H,1-6H3,(H,23,26)
• InChIKey: HFDGVNOKHNBRCX-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 83.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 47044847) is 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3sccc3C#N)c12.

What is the InChIKey of 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HFDGVNOKHNBRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-11(2)15-9-14(18(26)23-19-13(10-21)7-8-27-19)16-12(3)24-25(17(16)22-15)20(4,5)6/h7-9,11H,1-6H3,(H,23,26).

What are the key properties of 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N-(3-cyanothiophen-2-yl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 47044847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).