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

C22H26N4O3 — CID 120519941

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

3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 120519941) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• PubChem CID: 120519941
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• SMILES: CC(C)N(CCC(=O)O)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C22H26N4O3/c1-14(2)25(11-10-20(27)28)22(29)17-12-19(16-8-6-5-7-9-16)24-21-18(17)13-23-26(21)15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,27,28)
• InChIKey: QRESPSOVAIHUBS-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 120519941) is 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

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

The canonical SMILES for 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C.

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

The InChIKey is QRESPSOVAIHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)25(11-10-20(27)28)22(29)17-12-19(16-8-6-5-7-9-16)24-21-18(17)13-23-26(21)15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H,27,28).

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

3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 394.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).