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

C25H21F3N6O — CID 66839661

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

2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66839661) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 66839661
• Molecular Formula: C25H21F3N6O
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1nc(C=Cc2nc3n(n2)CCC=C3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H21F3N6O/c1-16-14-33(15-29-16)21-11-9-17(30-24(21)35-2)10-12-22-31-23-19(7-5-13-34(23)32-22)18-6-3-4-8-20(18)25(26,27)28/h3-4,6-12,14-15H,5,13H2,1-2H3
• InChIKey: MKZSPDFPZSLJTP-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66839661) is 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(C=Cc2nc3n(n2)CCC=C3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.

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

The InChIKey is MKZSPDFPZSLJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-16-14-33(15-29-16)21-11-9-17(30-24(21)35-2)10-12-22-31-23-19(7-5-13-34(23)32-22)18-6-3-4-8-20(18)25(26,27)28/h3-4,6-12,14-15H,5,13H2,1-2H3.

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

2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 478.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66839661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).