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

C25H23F2N5 — CID 58259748

IUPAC(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(F)c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C25H23F2N5/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24-25(27,12-3-13-32(24)30-23)20-6-8-21(26)9-7-20/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+/t25-/m0/s1
InChIKeyVGISEXXJZHVSGP-YGGPNUISSA-N
MW431.49 g/mol
LogP5.40
Rot. Bonds4

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

(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 58259748) has the molecular formula C25H23F2N5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID58259748
Molecular FormulaC25H23F2N5
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Name(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(F)c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C25H23F2N5/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24-25(27,12-3-13-32(24)30-23)20-6-8-21(26)9-7-20/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+/t25-/m0/s1
InChIKeyVGISEXXJZHVSGP-YGGPNUISSA-N
XLogP5.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-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 (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine (CID 58259748) is (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-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 (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(F)c3ccc(F)cc3)cc2C)cn1.
What is the InChIKey of (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VGISEXXJZHVSGP-YGGPNUISSA-N. The full InChI is InChI=1S/C25H23F2N5/c1-17-14-19(4-10-22(17)31-15-18(2)28-16-31)5-11-23-29-24-25(27,12-3-13-32(24)30-23)20-6-8-21(26)9-7-20/h4-11,14-16H,3,12-13H2,1-2H3/b11-5+/t25-/m0/s1.
What are the key properties of (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine?
(8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 431.49 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-fluoro-8-(4-fluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 58259748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).