[2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H28N4O3 — CID 8980481

About [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 8980481) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 8980481
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCC(CC)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C23H28N4O3/c1-5-17(6-2)25-21(28)14-30-23(29)18-12-20(16-10-8-7-9-11-16)26-22-19(18)13-24-27(22)15(3)4/h7-13,15,17H,5-6,14H2,1-4H3,(H,25,28)
• InChIKey: LIVJIWVYDHQZOB-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 8980481) is [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCC(CC)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.

What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is LIVJIWVYDHQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-17(6-2)25-21(28)14-30-23(29)18-12-20(16-10-8-7-9-11-16)26-22-19(18)13-24-27(22)15(3)4/h7-13,15,17H,5-6,14H2,1-4H3,(H,25,28).

What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 8980481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).