N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H14BrFN4O2 — CID 51118093

About N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51118093) has the molecular formula C19H14BrFN4O2 and a molecular weight of 429.25 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 51118093
• Molecular Formula: C19H14BrFN4O2
• Molecular Weight: 429.25 g/mol
• Exact Mass: 428.03
• IUPAC Name: N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Br)c12
• InChI: InChI=1S/C19H14BrFN4O2/c1-10-17-12(19(26)23-14-6-5-11(21)8-13(14)20)9-15(16-4-3-7-27-16)22-18(17)25(2)24-10/h3-9H,1-2H3,(H,23,26)
• InChIKey: CCIQSGKYFSKTNK-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.25
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 51118093) is N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Br)c12.

What is the InChIKey of N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CCIQSGKYFSKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O2/c1-10-17-12(19(26)23-14-6-5-11(21)8-13(14)20)9-15(16-4-3-7-27-16)22-18(17)25(2)24-10/h3-9H,1-2H3,(H,23,26).

What are the key properties of N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 429.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51118093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).