8-[2-(fluoromethyl)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

C25H25FN6O — CID 66839580

About 8-[2-(fluoromethyl)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-[2-(fluoromethyl)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 66839580) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 8-[2-(fluoromethyl)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-[2-(fluoromethyl)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: 66839580
• Molecular Formula: C25H25FN6O
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.21
• IUPAC Name: 8-[2-(fluoromethyl)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)CCCC3c2ccccc2CF)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H25FN6O/c1-17-15-31(16-27-17)22-11-9-19(28-25(22)33-2)10-12-23-29-24-21(8-5-13-32(24)30-23)20-7-4-3-6-18(20)14-26/h3-4,6-7,9-12,15-16,21H,5,8,13-14H2,1-2H3
• InChIKey: OMLPJPUPUJAVAV-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-(fluoromethyl)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-[2-(fluoromethyl)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 66839580) is 8-[2-(fluoromethyl)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-[2-(fluoromethyl)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-[2-(fluoromethyl)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)CCCC3c2ccccc2CF)ccc1-n1cnc(C)c1.

What is the InChIKey of 8-[2-(fluoromethyl)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 OMLPJPUPUJAVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-17-15-31(16-27-17)22-11-9-19(28-25(22)33-2)10-12-23-29-24-21(8-5-13-32(24)30-23)20-7-4-3-6-18(20)14-26/h3-4,6-7,9-12,15-16,21H,5,8,13-14H2,1-2H3.

What are the key properties of 8-[2-(fluoromethyl)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-[2-(fluoromethyl)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 444.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(fluoromethyl)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 66839580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).