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

C18H11F2N5O2 — CID 149302693

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

1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone (PubChem CID 149302693) has the molecular formula C18H11F2N5O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone
• PubChem CID: 149302693
• Molecular Formula: C18H11F2N5O2
• Molecular Weight: 367.32 g/mol
• Exact Mass: 367.09
• IUPAC Name: 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone
• SMILES: O=C(Cc1ccccn1)c1cc(Oc2cc(F)cnc2F)cn2ncnc12
• InChI: InChI=1S/C18H11F2N5O2/c19-11-5-16(17(20)22-8-11)27-13-7-14(18-23-10-24-25(18)9-13)15(26)6-12-3-1-2-4-21-12/h1-5,7-10H,6H2
• InChIKey: XXBOAJBFVIHWNN-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.32
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone (CID 149302693) is 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone.

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

The canonical SMILES for 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cc(Oc2cc(F)cnc2F)cn2ncnc12.

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

The InChIKey is XXBOAJBFVIHWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O2/c19-11-5-16(17(20)22-8-11)27-13-7-14(18-23-10-24-25(18)9-13)15(26)6-12-3-1-2-4-21-12/h1-5,7-10H,6H2.

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

1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone has a molecular weight of 367.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(2,5-difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 149302693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).