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

C17H22N4O3 — CID 120535917

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

3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 120535917) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• PubChem CID: 120535917
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid
• SMILES: Cc1cc(C(=O)NC(CC2CC2)C(=O)O)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C17H22N4O3/c1-9(2)21-15-13(8-18-21)12(6-10(3)19-15)16(22)20-14(17(23)24)7-11-4-5-11/h6,8-9,11,14H,4-5,7H2,1-3H3,(H,20,22)(H,23,24)
• InChIKey: LLIKJBNPXVSOMU-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid (CID 120535917) is 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid.

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

The canonical SMILES for 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is Cc1cc(C(=O)NC(CC2CC2)C(=O)O)c2cnn(C(C)C)c2n1.

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

The InChIKey is LLIKJBNPXVSOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9(2)21-15-13(8-18-21)12(6-10(3)19-15)16(22)20-14(17(23)24)7-11-4-5-11/h6,8-9,11,14H,4-5,7H2,1-3H3,(H,20,22)(H,23,24).

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

3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 330.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120535917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).