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

C20H9F7N4O2 — CID 166628538

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2ccnc(C(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C20H9F7N4O2/c21-13-11(8-4-5-28-10(7-8)20(25,26)27)14(22)16(24)17(15(13)23)29-18(32)12-9-3-1-2-6-31(9)30-19(12)33/h1-7H,(H,29,32)(H,30,33)
InChIKeyKJFXLQVLIXWGTI-UHFFFAOYSA-N
MW470.30 g/mol
LogP4.52
Rot. Bonds3

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166628538) has the molecular formula C20H9F7N4O2 and a molecular weight of 470.30 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166628538
Molecular FormulaC20H9F7N4O2
Molecular Weight470.30 g/mol
Exact Mass470.06
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2ccnc(C(F)(F)F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C20H9F7N4O2/c21-13-11(8-4-5-28-10(7-8)20(25,26)27)14(22)16(24)17(15(13)23)29-18(32)12-9-3-1-2-6-31(9)30-19(12)33/h1-7H,(H,29,32)(H,30,33)
InChIKeyKJFXLQVLIXWGTI-UHFFFAOYSA-N
XLogP4.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.30
LogP ≤ 54.52
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-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166628538) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2ccnc(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-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KJFXLQVLIXWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F7N4O2/c21-13-11(8-4-5-28-10(7-8)20(25,26)27)14(22)16(24)17(15(13)23)29-18(32)12-9-3-1-2-6-31(9)30-19(12)33/h1-7H,(H,29,32)(H,30,33).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 470.30 g/mol, XLogP of 4.52, 3 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-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166628538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).