2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

C21H10F7N3O2 — CID 151527328

About 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide

2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 151527328) has the molecular formula C21H10F7N3O2 and a molecular weight of 469.32 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 151527328
• Molecular Formula: C21H10F7N3O2
• Molecular Weight: 469.32 g/mol
• Exact Mass: 469.07
• IUPAC Name: 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: O=C(Nc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
• InChI: InChI=1S/C21H10F7N3O2/c22-14-12(9-4-3-5-10(8-9)21(26,27)28)15(23)17(25)18(16(14)24)29-19(32)13-11-6-1-2-7-31(11)30-20(13)33/h1-8H,(H,29,32)(H,30,33)
• InChIKey: PVSXCZYHJCLULO-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.32
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 151527328) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12.

What is the InChIKey of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is PVSXCZYHJCLULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F7N3O2/c22-14-12(9-4-3-5-10(8-9)21(26,27)28)15(23)17(25)18(16(14)24)29-19(32)13-11-6-1-2-7-31(11)30-20(13)33/h1-8H,(H,29,32)(H,30,33).

What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?

2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 469.32 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 151527328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).