2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone

C17H11FN6O2 — CID 162153360

IUPAC2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)cn2ncnc12
InChIInChI=1S/C17H11FN6O2/c18-16-3-1-2-11(23-16)4-15(25)14-5-12(8-24-17(14)21-10-22-24)26-13-6-19-9-20-7-13/h1-3,5-10H,4H2
InChIKeyZLMTUGONSRRGQG-UHFFFAOYSA-N
MW350.31 g/mol
LogP2.27
Rot. Bonds5

About 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone

2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone (PubChem CID 162153360) has the molecular formula C17H11FN6O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone
PubChem CID162153360
Molecular FormulaC17H11FN6O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone
SMILESO=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)cn2ncnc12
InChIInChI=1S/C17H11FN6O2/c18-16-3-1-2-11(23-16)4-15(25)14-5-12(8-24-17(14)21-10-22-24)26-13-6-19-9-20-7-13/h1-3,5-10H,4H2
InChIKeyZLMTUGONSRRGQG-UHFFFAOYSA-N
XLogP2.27
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone (CID 162153360) is 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone is O=C(Cc1cccc(F)n1)c1cc(Oc2cncnc2)cn2ncnc12.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone?
The InChIKey is ZLMTUGONSRRGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O2/c18-16-3-1-2-11(23-16)4-15(25)14-5-12(8-24-17(14)21-10-22-24)26-13-6-19-9-20-7-13/h1-3,5-10H,4H2.
What are the key properties of 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone?
2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone has a molecular weight of 350.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanone is sourced from PubChem (CID 162153360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).