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

C20H10F5N3O2 — CID 158005454

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C20H10F5N3O2/c21-10-5-3-4-9(8-10)12-14(22)16(24)18(17(25)15(12)23)26-19(29)13-11-6-1-2-7-28(11)27-20(13)30/h1-8H,(H,26,29)(H,27,30)
InChIKeyJMAWCHYKHAQTSI-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.24
Rot. Bonds3

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

2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 158005454) has the molecular formula C20H10F5N3O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID158005454
Molecular FormulaC20H10F5N3O2
Molecular Weight419.31 g/mol
Exact Mass419.07
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12
InChIInChI=1S/C20H10F5N3O2/c21-10-5-3-4-9(8-10)12-14(22)16(24)18(17(25)15(12)23)26-19(29)13-11-6-1-2-7-28(11)27-20(13)30/h1-8H,(H,26,29)(H,27,30)
InChIKeyJMAWCHYKHAQTSI-UHFFFAOYSA-N
XLogP4.24
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 158005454) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)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-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F)c1c(=O)[nH]n2ccccc12.
What is the InChIKey of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JMAWCHYKHAQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F5N3O2/c21-10-5-3-4-9(8-10)12-14(22)16(24)18(17(25)15(12)23)26-19(29)13-11-6-1-2-7-28(11)27-20(13)30/h1-8H,(H,26,29)(H,27,30).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 4.24, 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-fluorophenyl)phenyl]-1H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 158005454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).