8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C25H22F4N6O — CID 66839185

About 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66839185) has the molecular formula C25H22F4N6O and a molecular weight of 498.48 g/mol. Its IUPAC name is 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 66839185
• Molecular Formula: C25H22F4N6O
• Molecular Weight: 498.48 g/mol
• Exact Mass: 498.18
• IUPAC Name: 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(C=Cc2nc3n(n2)CCCC3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H22F4N6O/c1-15-13-34(14-30-15)21-9-6-17(31-24(21)36-2)7-10-22-32-23-18(4-3-11-35(23)33-22)19-12-16(26)5-8-20(19)25(27,28)29/h5-10,12-14,18H,3-4,11H2,1-2H3
• InChIKey: FDMOUVFJKGQYEG-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.48
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66839185) is 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(C=Cc2nc3n(n2)CCCC3c2cc(F)ccc2C(F)(F)F)ccc1-n1cnc(C)c1.

What is the InChIKey of 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is FDMOUVFJKGQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O/c1-15-13-34(14-30-15)21-9-6-17(31-24(21)36-2)7-10-22-32-23-18(4-3-11-35(23)33-22)19-12-16(26)5-8-20(19)25(27,28)29/h5-10,12-14,18H,3-4,11H2,1-2H3.

What are the key properties of 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?

8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 498.48 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66839185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).