1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone

C18H10F3N5O2 — CID 148770557

About 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone

1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 148770557) has the molecular formula C18H10F3N5O2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone
• PubChem CID: 148770557
• Molecular Formula: C18H10F3N5O2
• Molecular Weight: 385.31 g/mol
• Exact Mass: 385.08
• IUPAC Name: 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone
• SMILES: O=C(Cc1ccc(F)cn1)c1cc(Oc2cncc(F)c2F)cn2ncnc12
• InChI: InChI=1S/C18H10F3N5O2/c19-10-1-2-11(23-5-10)3-15(27)13-4-12(8-26-18(13)24-9-25-26)28-16-7-22-6-14(20)17(16)21/h1-2,4-9H,3H2
• InChIKey: OIHYFPNHKYBJQY-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.31
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone?

The IUPAC name of 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone (CID 148770557) is 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone.

What is the SMILES notation for 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone?

The canonical SMILES for 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone is O=C(Cc1ccc(F)cn1)c1cc(Oc2cncc(F)c2F)cn2ncnc12.

What is the InChIKey of 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone?

The InChIKey is OIHYFPNHKYBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O2/c19-10-1-2-11(23-5-10)3-15(27)13-4-12(8-26-18(13)24-9-25-26)28-16-7-22-6-14(20)17(16)21/h1-2,4-9H,3H2.

What are the key properties of 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone?

1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone has a molecular weight of 385.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(4,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 148770557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).