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

C25H23F2N5O — CID 24852097

IUPAC8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(F)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23F2N5O/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)33-2)5-11-23-29-24-25(27,12-3-13-32(24)30-23)19-6-8-20(26)9-7-19/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+
InChIKeyLLDMVSBMTOLQLK-VZUCSPMQSA-N
MW447.49 g/mol
LogP5.10
Rot. Bonds5

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

8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 24852097) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID24852097
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(F)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H23F2N5O/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)33-2)5-11-23-29-24-25(27,12-3-13-32(24)30-23)19-6-8-20(26)9-7-19/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+
InChIKeyLLDMVSBMTOLQLK-VZUCSPMQSA-N
XLogP5.10
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 24852097) is 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(/C=C/c2nc3n(n2)CCCC3(F)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LLDMVSBMTOLQLK-VZUCSPMQSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-17-15-31(16-28-17)21-10-4-18(14-22(21)33-2)5-11-23-29-24-25(27,12-3-13-32(24)30-23)19-6-8-20(26)9-7-19/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+.
What are the key properties of 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 447.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 24852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).