methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate

C25H26N4O3S — CID 55513093

About methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate

methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate (PubChem CID 55513093) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
• PubChem CID: 55513093
• Molecular Formula: C25H26N4O3S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.17
• IUPAC Name: methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
• SMILES: COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C25H26N4O3S/c1-17(2)29-24-20(15-26-29)19(14-21(27-24)22-10-7-13-33-22)25(31)28(12-11-23(30)32-3)16-18-8-5-4-6-9-18/h4-10,13-15,17H,11-12,16H2,1-3H3
• InChIKey: UHXSNYYTRRZJPG-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 77.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?

The IUPAC name of methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate (CID 55513093) is methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate.

What is the SMILES notation for methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?

The canonical SMILES for methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C.

What is the InChIKey of methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?

The InChIKey is UHXSNYYTRRZJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17(2)29-24-20(15-26-29)19(14-21(27-24)22-10-7-13-33-22)25(31)28(12-11-23(30)32-3)16-18-8-5-4-6-9-18/h4-10,13-15,17H,11-12,16H2,1-3H3.

What are the key properties of methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate?

methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate has a molecular weight of 462.58 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 55513093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).