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

C18H20N4O3S — CID 119347907

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

3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 119347907) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

• Compound Name: 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• PubChem CID: 119347907
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
• SMILES: CC(CC(=O)O)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C18H20N4O3S/c1-10(2)22-17-13(9-19-22)12(18(25)20-11(3)7-16(23)24)8-14(21-17)15-5-4-6-26-15/h4-6,8-11H,7H2,1-3H3,(H,20,25)(H,23,24)
• InChIKey: CZHNUXFBKWRHKU-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid (CID 119347907) is 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid.

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

The canonical SMILES for 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C.

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

The InChIKey is CZHNUXFBKWRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10(2)22-17-13(9-19-22)12(18(25)20-11(3)7-16(23)24)8-14(21-17)15-5-4-6-26-15/h4-6,8-11H,7H2,1-3H3,(H,20,25)(H,23,24).

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

3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 372.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119347907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).