N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H19BrN4O2 — CID 55804253

About N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55804253) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55804253
• Molecular Formula: C21H19BrN4O2
• Molecular Weight: 439.31 g/mol
• Exact Mass: 438.07
• IUPAC Name: N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(Br)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C21H19BrN4O2/c1-12(2)26-20-16(11-23-26)15(10-18(24-20)19-5-4-8-28-19)21(27)25-17-9-14(22)7-6-13(17)3/h4-12H,1-3H3,(H,25,27)
• InChIKey: SGLTVKJBEJZGFM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.31
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55804253) is N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.

What is the InChIKey of N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is SGLTVKJBEJZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-12(2)26-20-16(11-23-26)15(10-18(24-20)19-5-4-8-28-19)21(27)25-17-9-14(22)7-6-13(17)3/h4-12H,1-3H3,(H,25,27).

What are the key properties of N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-methylphenyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55804253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).