6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H28N4O2S — CID 55555395

About 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55555395) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55555395
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NCCC3CCCO3)c3cnn(C(C)C)c3n2)c(C)s1
• InChI: InChI=1S/C22H28N4O2S/c1-13(2)26-21-19(12-24-26)18(22(27)23-8-7-16-6-5-9-28-16)11-20(25-21)17-10-14(3)29-15(17)4/h10-13,16H,5-9H2,1-4H3,(H,23,27)
• InChIKey: ZNSHBKWNWSCYSE-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55555395) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCCC3CCCO3)c3cnn(C(C)C)c3n2)c(C)s1.

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

The InChIKey is ZNSHBKWNWSCYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-13(2)26-21-19(12-24-26)18(22(27)23-8-7-16-6-5-9-28-16)11-20(25-21)17-10-14(3)29-15(17)4/h10-13,16H,5-9H2,1-4H3,(H,23,27).

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

6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55555395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).