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

C16H22N4O4 — CID 120702787

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

4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 120702787) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
• PubChem CID: 120702787
• Molecular Formula: C16H22N4O4
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.16
• IUPAC Name: 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid
• SMILES: COCCC(NC(=O)c1cc(C)nc2c1cnn2C(C)C)C(=O)O
• InChI: InChI=1S/C16H22N4O4/c1-9(2)20-14-12(8-17-20)11(7-10(3)18-14)15(21)19-13(16(22)23)5-6-24-4/h7-9,13H,5-6H2,1-4H3,(H,19,21)(H,22,23)
• InChIKey: XMEFEFXXPHFKGR-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• 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 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid?

The IUPAC name of 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 120702787) is 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid.

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

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

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

The InChIKey is XMEFEFXXPHFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9(2)20-14-12(8-17-20)11(7-10(3)18-14)15(21)19-13(16(22)23)5-6-24-4/h7-9,13H,5-6H2,1-4H3,(H,19,21)(H,22,23).

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

4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 334.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120702787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).