6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H24F3N5O3 — CID 24581341

About 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24581341) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24581341
• Molecular Formula: C25H24F3N5O3
• Molecular Weight: 499.49 g/mol
• Exact Mass: 499.18
• IUPAC Name: 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C25H24F3N5O3/c1-4-9-32(13-21(34)30-18-8-7-17(26)22(27)23(18)28)25(35)15-11-19(20-6-5-10-36-20)31-24-16(15)12-29-33(24)14(2)3/h5-8,10-12,14H,4,9,13H2,1-3H3,(H,30,34)
• InChIKey: JNLPXBQNLKMYQN-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.49
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24581341) is 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.

What is the InChIKey of 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is JNLPXBQNLKMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-4-9-32(13-21(34)30-18-8-7-17(26)22(27)23(18)28)25(35)15-11-19(20-6-5-10-36-20)31-24-16(15)12-29-33(24)14(2)3/h5-8,10-12,14H,4,9,13H2,1-3H3,(H,30,34).

What are the key properties of 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24581341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).