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

C26H23FN6O — CID 90787949

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

(8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 90787949) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

• Compound Name: (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• PubChem CID: 90787949
• Molecular Formula: C26H23FN6O
• Molecular Weight: 454.51 g/mol
• Exact Mass: 454.19
• IUPAC Name: (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• SMILES: COc1cc(C=Cc2nc3n(n2)CCC[C@]3(C#N)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C26H23FN6O/c1-18-15-32(17-29-18)22-10-4-19(14-23(22)34-2)5-11-24-30-25-26(16-28,12-3-13-33(25)31-24)20-6-8-21(27)9-7-20/h4-11,14-15,17H,3,12-13H2,1-2H3/t26-/m0/s1
• InChIKey: RUOTZYUIDUUFDI-SANMLTNESA-N
• XLogP: 4.69
• TPSA: 81.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.51
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 90787949) is (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

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

The canonical SMILES for (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is COc1cc(C=Cc2nc3n(n2)CCC[C@]3(C#N)c2ccc(F)cc2)ccc1-n1cnc(C)c1.

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

The InChIKey is RUOTZYUIDUUFDI-SANMLTNESA-N. The full InChI is InChI=1S/C26H23FN6O/c1-18-15-32(17-29-18)22-10-4-19(14-23(22)34-2)5-11-24-30-25-26(16-28,12-3-13-33(25)31-24)20-6-8-21(27)9-7-20/h4-11,14-15,17H,3,12-13H2,1-2H3/t26-/m0/s1.

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

(8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 454.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-(4-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 90787949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).