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

C16H22N4O4 — CID 120531870

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

3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 120531870) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• PubChem CID: 120531870
• Molecular Formula: C16H22N4O4
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.16
• IUPAC Name: 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• SMILES: COCC(C)(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
• InChI: InChI=1S/C16H22N4O4/c1-9(2)20-13-12(7-17-20)11(6-10(3)18-13)14(21)19-16(4,8-24-5)15(22)23/h6-7,9H,8H2,1-5H3,(H,19,21)(H,22,23)
• InChIKey: QJXAJSBXZXOTNZ-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (CID 120531870) is 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

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

The canonical SMILES for 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is COCC(C)(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O.

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

The InChIKey is QJXAJSBXZXOTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9(2)20-13-12(7-17-20)11(6-10(3)18-13)14(21)19-16(4,8-24-5)15(22)23/h6-7,9H,8H2,1-5H3,(H,19,21)(H,22,23).

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

3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 334.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-2-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120531870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).