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

C18H11F3N6O3 — CID 118103961

IUPAC6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(OC(F)F)c2)cn2ncnc12
InChIInChI=1S/C18H11F3N6O3/c19-10-1-2-15(23-5-10)26-17(28)14-4-13(8-27-16(14)24-9-25-27)29-11-3-12(7-22-6-11)30-18(20)21/h1-9,18H,(H,23,26,28)
InChIKeyIATYQAZTGQFASQ-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.30
Rot. Bonds6

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

6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 118103961) has the molecular formula C18H11F3N6O3 and a molecular weight of 416.32 g/mol. Its IUPAC name is 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID118103961
Molecular FormulaC18H11F3N6O3
Molecular Weight416.32 g/mol
Exact Mass416.08
IUPAC Name6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(OC(F)F)c2)cn2ncnc12
InChIInChI=1S/C18H11F3N6O3/c19-10-1-2-15(23-5-10)26-17(28)14-4-13(8-27-16(14)24-9-25-27)29-11-3-12(7-22-6-11)30-18(20)21/h1-9,18H,(H,23,26,28)
InChIKeyIATYQAZTGQFASQ-UHFFFAOYSA-N
XLogP3.30
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 118103961) is 6-[[5-(difluoromethoxy)-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-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethoxy)-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(Oc2cncc(OC(F)F)c2)cn2ncnc12.
What is the InChIKey of 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is IATYQAZTGQFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O3/c19-10-1-2-15(23-5-10)26-17(28)14-4-13(8-27-16(14)24-9-25-27)29-11-3-12(7-22-6-11)30-18(20)21/h1-9,18H,(H,23,26,28).
What are the key properties of 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethoxy)-3-pyridinyl]oxy]-N-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 118103961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).