6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C17H9F3N6O2 — CID 118103909

IUPAC6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cnc(F)c(F)c2)cn2ncnc12
InChIInChI=1S/C17H9F3N6O2/c18-9-1-2-14(21-5-9)25-17(27)12-3-11(7-26-16(12)23-8-24-26)28-10-4-13(19)15(20)22-6-10/h1-8H,(H,21,25,27)
InChIKeyRRJSTOLWZPFHFR-UHFFFAOYSA-N
MW386.29 g/mol
LogP2.98
Rot. Bonds4

About 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 118103909) has the molecular formula C17H9F3N6O2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID118103909
Molecular FormulaC17H9F3N6O2
Molecular Weight386.29 g/mol
Exact Mass386.07
IUPAC Name6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cnc(F)c(F)c2)cn2ncnc12
InChIInChI=1S/C17H9F3N6O2/c18-9-1-2-14(21-5-9)25-17(27)12-3-11(7-26-16(12)23-8-24-26)28-10-4-13(19)15(20)22-6-10/h1-8H,(H,21,25,27)
InChIKeyRRJSTOLWZPFHFR-UHFFFAOYSA-N
XLogP2.98
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 118103909) is 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is O=C(Nc1ccc(F)cn1)c1cc(Oc2cnc(F)c(F)c2)cn2ncnc12.
What is the InChIKey of 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is RRJSTOLWZPFHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N6O2/c18-9-1-2-14(21-5-9)25-17(27)12-3-11(7-26-16(12)23-8-24-26)28-10-4-13(19)15(20)22-6-10/h1-8H,(H,21,25,27).
What are the key properties of 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 386.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-difluoro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118103909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).