N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C19H27Cl2N5O2 — CID 119405283

About N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119405283) has the molecular formula C19H27Cl2N5O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119405283
• Molecular Formula: C19H27Cl2N5O2
• Molecular Weight: 428.36 g/mol
• Exact Mass: 427.15
• IUPAC Name: N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: Cc1cc(-c2cc(C(=O)NCCCN)c3cnn(C(C)C)c3n2)c(C)o1.Cl.Cl
• InChI: InChI=1S/C19H25N5O2.2ClH/c1-11(2)24-18-16(10-22-24)15(19(25)21-7-5-6-20)9-17(23-18)14-8-12(3)26-13(14)4;;/h8-11H,5-7,20H2,1-4H3,(H,21,25);2*1H
• InChIKey: JTTSAWJQMDVHPQ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 98.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.36
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119405283) is N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1cc(-c2cc(C(=O)NCCCN)c3cnn(C(C)C)c3n2)c(C)o1.Cl.Cl.

What is the InChIKey of N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is JTTSAWJQMDVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.2ClH/c1-11(2)24-18-16(10-22-24)15(19(25)21-7-5-6-20)9-17(23-18)14-8-12(3)26-13(14)4;;/h8-11H,5-7,20H2,1-4H3,(H,21,25);2*1H.

What are the key properties of N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119405283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).