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

C21H27N5O2S — CID 24622368

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

6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24622368) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24622368
• Molecular Formula: C21H27N5O2S
• Molecular Weight: 413.55 g/mol
• Exact Mass: 413.19
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCCNC(=O)CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C
• InChI: InChI=1S/C21H27N5O2S/c1-6-7-22-19(27)11-23-21(28)16-9-18(15-8-13(4)29-14(15)5)25-20-17(16)10-24-26(20)12(2)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27)(H,23,28)
• InChIKey: GDVSAZHBAMOWOX-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.55
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24622368) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)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-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCNC(=O)CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C.

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

The InChIKey is GDVSAZHBAMOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-6-7-22-19(27)11-23-21(28)16-9-18(15-8-13(4)29-14(15)5)25-20-17(16)10-24-26(20)12(2)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27)(H,23,28).

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

6-(2,5-dimethylthiophen-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 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-oxo-2-(propylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24622368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).