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

C24H30N4O3 — CID 46693206

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

[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46693206) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46693206
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCC(CC)NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C24H30N4O3/c1-6-18(7-2)26-22(29)14-31-24(30)19-12-21(17-10-8-16(5)9-11-17)27-23-20(19)13-25-28(23)15(3)4/h8-13,15,18H,6-7,14H2,1-5H3,(H,26,29)
• InChIKey: MRWYKGONGHFWHA-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	4.45
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-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46693206) is [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

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

The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCC(CC)NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C.

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

The InChIKey is MRWYKGONGHFWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-6-18(7-2)26-22(29)14-31-24(30)19-12-21(17-10-8-16(5)9-11-17)27-23-20(19)13-25-28(23)15(3)4/h8-13,15,18H,6-7,14H2,1-5H3,(H,26,29).

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

[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 4.45, 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-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46693206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).