3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid

C21H24N4O3 — CID 120520164

About 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid

3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 120520164) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• PubChem CID: 120520164
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(=O)O)C(C)C)c12
• InChI: InChI=1S/C21H24N4O3/c1-13(2)25(11-10-18(26)27)21(28)16-12-17(15-8-6-5-7-9-15)22-20-19(16)14(3)23-24(20)4/h5-9,12-13H,10-11H2,1-4H3,(H,26,27)
• InChIKey: QJUJYFVIDNULTI-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid?

The IUPAC name of 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 120520164) is 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

What is the SMILES notation for 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid?

The canonical SMILES for 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(=O)O)C(C)C)c12.

What is the InChIKey of 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid?

The InChIKey is QJUJYFVIDNULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)25(11-10-18(26)27)21(28)16-12-17(15-8-6-5-7-9-15)22-20-19(16)14(3)23-24(20)4/h5-9,12-13H,10-11H2,1-4H3,(H,26,27).

What are the key properties of 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid?

3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 380.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).