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

C24H22N4O4 — CID 56543253

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

methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (PubChem CID 56543253) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.

Molecular Properties

• Compound Name: methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
• PubChem CID: 56543253
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
• SMILES: COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1O
• InChI: InChI=1S/C24H22N4O4/c1-14(2)28-22-18(13-25-28)17(12-20(26-22)15-8-5-4-6-9-15)23(30)27-19-11-7-10-16(21(19)29)24(31)32-3/h4-14,29H,1-3H3,(H,27,30)
• InChIKey: NUYXIRGQYOQEAK-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 106.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (CID 56543253) is methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.

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

The canonical SMILES for methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1O.

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

The InChIKey is NUYXIRGQYOQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14(2)28-22-18(13-25-28)17(12-20(26-22)15-8-5-4-6-9-15)23(30)27-19-11-7-10-16(21(19)29)24(31)32-3/h4-14,29H,1-3H3,(H,27,30).

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

methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate has a molecular weight of 430.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 56543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).