(8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

C25H24FN5O — CID 24851976

About (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine

(8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 24851976) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 24851976
• Molecular Formula: C25H24FN5O
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.20
• IUPAC Name: (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(/C=C2\CCCn3nc(Cc4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C25H24FN5O/c1-17-15-30(16-27-17)22-10-7-19(13-23(22)32-2)12-20-4-3-11-31-25(20)28-24(29-31)14-18-5-8-21(26)9-6-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/b20-12+
• InChIKey: FIHZRPHAOVYWEH-UDWIEESQSA-N
• XLogP: 4.85
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 24851976) is (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(/C=C2\CCCn3nc(Cc4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1.

What is the InChIKey of (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is FIHZRPHAOVYWEH-UDWIEESQSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-17-15-30(16-27-17)22-10-7-19(13-23(22)32-2)12-20-4-3-11-31-25(20)28-24(29-31)14-18-5-8-21(26)9-6-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/b20-12+.

What are the key properties of (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?

(8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 429.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 24851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).