3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid

C21H24N4O3 — CID 119348382

About 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid

3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119348382) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• PubChem CID: 119348382
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• SMILES: CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)C(=O)O
• InChI: InChI=1S/C21H24N4O3/c1-12(2)18(21(27)28)24-20(26)15-10-17(14-8-6-5-7-9-14)23-19-16(15)11-22-25(19)13(3)4/h5-13,18H,1-4H3,(H,24,26)(H,27,28)
• InChIKey: VKSDMYNIHFNJPI-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The IUPAC name of 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 119348382) is 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

What is the SMILES notation for 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The canonical SMILES for 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is CC(C)C(NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C)C(=O)O.

What is the InChIKey of 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The InChIKey is VKSDMYNIHFNJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12(2)18(21(27)28)24-20(26)15-10-17(14-8-6-5-7-9-14)23-19-16(15)11-22-25(19)13(3)4/h5-13,18H,1-4H3,(H,24,26)(H,27,28).

What are the key properties of 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid?

3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 380.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119348382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).