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

C24H21F2N5 — CID 24851857

IUPAC2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCCC4c3ccc(F)cc3)cc2F)cn1
InChIInChI=1S/C24H21F2N5/c1-16-14-30(15-27-16)22-10-4-17(13-21(22)26)5-11-23-28-24-20(3-2-12-31(24)29-23)18-6-8-19(25)9-7-18/h4-11,13-15,20H,2-3,12H2,1H3/b11-5+
InChIKeySSTOWQTVUVXZPI-VZUCSPMQSA-N
MW417.46 g/mol
LogP5.15
Rot. Bonds4

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

2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 24851857) has the molecular formula C24H21F2N5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID24851857
Molecular FormulaC24H21F2N5
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Name2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCCC4c3ccc(F)cc3)cc2F)cn1
InChIInChI=1S/C24H21F2N5/c1-16-14-30(15-27-16)22-10-4-17(13-21(22)26)5-11-23-28-24-20(3-2-12-31(24)29-23)18-6-8-19(25)9-7-18/h4-11,13-15,20H,2-3,12H2,1H3/b11-5+
InChIKeySSTOWQTVUVXZPI-VZUCSPMQSA-N
XLogP5.15
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 24851857) is 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCCC4c3ccc(F)cc3)cc2F)cn1.
What is the InChIKey of 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SSTOWQTVUVXZPI-VZUCSPMQSA-N. The full InChI is InChI=1S/C24H21F2N5/c1-16-14-30(15-27-16)22-10-4-17(13-21(22)26)5-11-23-28-24-20(3-2-12-31(24)29-23)18-6-8-19(25)9-7-18/h4-11,13-15,20H,2-3,12H2,1H3/b11-5+.
What are the key properties of 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 417.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 24851857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).