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

C16H22N4O3 — CID 120524365

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

2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 120524365) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• PubChem CID: 120524365
• Molecular Formula: C16H22N4O3
• Molecular Weight: 318.38 g/mol
• Exact Mass: 318.17
• IUPAC Name: 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• SMILES: Cc1cc(C(=O)N(C)CC(C)C(=O)O)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C16H22N4O3/c1-9(2)20-14-13(7-17-20)12(6-11(4)18-14)15(21)19(5)8-10(3)16(22)23/h6-7,9-10H,8H2,1-5H3,(H,22,23)
• InChIKey: APAKJLSXXPEUDV-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.38
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (CID 120524365) is 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

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

The canonical SMILES for 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N(C)CC(C)C(=O)O)c2cnn(C(C)C)c2n1.

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

The InChIKey is APAKJLSXXPEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-9(2)20-14-13(7-17-20)12(6-11(4)18-14)15(21)19(5)8-10(3)16(22)23/h6-7,9-10H,8H2,1-5H3,(H,22,23).

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

2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 318.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120524365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).