3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid

C21H30N4O3 — CID 120520141

About 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid

3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 120520141) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• PubChem CID: 120520141
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
• SMILES: Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(CCC(=O)O)C(C)C)c12
• InChI: InChI=1S/C21H30N4O3/c1-12(2)24(10-9-17(26)27)20(28)15-11-16(14-7-8-14)22-19-18(15)13(3)23-25(19)21(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,26,27)
• InChIKey: YIGSDRGISCVHTK-UHFFFAOYSA-N
• XLogP: 3.70
• 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	386.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid (CID 120520141) is 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid.

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

The canonical SMILES for 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(CCC(=O)O)C(C)C)c12.

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

The InChIKey is YIGSDRGISCVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-12(2)24(10-9-17(26)27)20(28)15-11-16(14-7-8-14)22-19-18(15)13(3)23-25(19)21(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,26,27).

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

3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 386.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120520141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).