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

C21H10F7N3O3 — CID 166635404

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C21H10F7N3O3/c22-14-12(9-4-3-5-10(8-9)34-21(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)
InChIKeyCQFOVDDXICBDOS-UHFFFAOYSA-N
MW485.32 g/mol
LogP5.00
Rot. Bonds4

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166635404) has the molecular formula C21H10F7N3O3 and a molecular weight of 485.32 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166635404
Molecular FormulaC21H10F7N3O3
Molecular Weight485.32 g/mol
Exact Mass485.06
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C21H10F7N3O3/c22-14-12(9-4-3-5-10(8-9)34-21(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)
InChIKeyCQFOVDDXICBDOS-UHFFFAOYSA-N
XLogP5.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166635404) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2cccc(OC(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-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CQFOVDDXICBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F7N3O3/c22-14-12(9-4-3-5-10(8-9)34-21(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-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 485.32 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166635404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).