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

C19H10F4N4O2 — CID 158005453

IUPAC2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccnc2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C19H10F4N4O2/c20-13-11(9-4-3-6-24-8-9)14(21)16(23)17(15(13)22)25-18(28)12-10-5-1-2-7-27(10)26-19(12)29/h1-8H,(H,25,28)(H,26,29)
InChIKeyCWVSXLCVNGVGDR-UHFFFAOYSA-N
MW402.31 g/mol
LogP3.50
Rot. Bonds3

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

2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 158005453) has the molecular formula C19H10F4N4O2 and a molecular weight of 402.31 g/mol. Its IUPAC name is 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID158005453
Molecular FormulaC19H10F4N4O2
Molecular Weight402.31 g/mol
Exact Mass402.07
IUPAC Name2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccnc2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C19H10F4N4O2/c20-13-11(9-4-3-6-24-8-9)14(21)16(23)17(15(13)22)25-18(28)12-10-5-1-2-7-27(10)26-19(12)29/h1-8H,(H,25,28)(H,26,29)
InChIKeyCWVSXLCVNGVGDR-UHFFFAOYSA-N
XLogP3.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 53.50
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-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 158005453) is 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2cccnc2)c(F)c1F)c1c(=O)[nH]n2ccccc12.
What is the InChIKey of 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is CWVSXLCVNGVGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N4O2/c20-13-11(9-4-3-6-24-8-9)14(21)16(23)17(15(13)22)25-18(28)12-10-5-1-2-7-27(10)26-19(12)29/h1-8H,(H,25,28)(H,26,29).
What are the key properties of 2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 402.31 g/mol, XLogP of 3.50, 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-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 158005453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).