[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C26H27FN4O4 — CID 46693104

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46693104) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46693104
• Molecular Formula: C26H27FN4O4
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.20
• IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: Cc1cc(-c2cc(C(=O)OCC(=O)NCCc3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)o1
• InChI: InChI=1S/C26H27FN4O4/c1-15(2)31-25-22(13-29-31)21(12-23(30-25)20-11-16(3)35-17(20)4)26(33)34-14-24(32)28-10-9-18-5-7-19(27)8-6-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,28,32)
• InChIKey: ATVJEFONETXFNL-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46693104) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(-c2cc(C(=O)OCC(=O)NCCc3ccc(F)cc3)c3cnn(C(C)C)c3n2)c(C)o1.

What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is ATVJEFONETXFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c1-15(2)31-25-22(13-29-31)21(12-23(30-25)20-11-16(3)35-17(20)4)26(33)34-14-24(32)28-10-9-18-5-7-19(27)8-6-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,28,32).

What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 478.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46693104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).