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

C25H22FN5O — CID 24851979

IUPAC8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCC=C3c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-15-30(16-27-17)22-11-5-18(14-23(22)32-2)6-12-24-28-25-21(4-3-13-31(25)29-24)19-7-9-20(26)10-8-19/h4-12,14-16H,3,13H2,1-2H3/b12-6+
InChIKeyKACXLOORNWFOCL-WUXMJOGZSA-N
MW427.48 g/mol
LogP4.93
Rot. Bonds5

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

8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 24851979) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID24851979
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCC=C3c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-15-30(16-27-17)22-11-5-18(14-23(22)32-2)6-12-24-28-25-21(4-3-13-31(25)29-24)19-7-9-20(26)10-8-19/h4-12,14-16H,3,13H2,1-2H3/b12-6+
InChIKeyKACXLOORNWFOCL-WUXMJOGZSA-N
XLogP4.93
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine (CID 24851979) is 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(/C=C/c2nc3n(n2)CCC=C3c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KACXLOORNWFOCL-WUXMJOGZSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-17-15-30(16-27-17)22-11-5-18(14-23(22)32-2)6-12-24-28-25-21(4-3-13-31(25)29-24)19-7-9-20(26)10-8-19/h4-12,14-16H,3,13H2,1-2H3/b12-6+.
What are the key properties of 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine?
8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 427.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 24851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).