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

C26H22F2N6 — CID 58105085

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

(8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 58105085) has the molecular formula C26H22F2N6 and a molecular weight of 456.50 g/mol. Its IUPAC name is (8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• PubChem CID: 58105085
• Molecular Formula: C26H22F2N6
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.19
• IUPAC Name: (8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
• SMILES: Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(C#N)c3cc(F)cc(F)c3)cc2C)cn1
• InChI: InChI=1S/C26H22F2N6/c1-17-10-19(4-6-23(17)33-14-18(2)30-16-33)5-7-24-31-25-26(15-29,8-3-9-34(25)32-24)20-11-21(27)13-22(28)12-20/h4-7,10-14,16H,3,8-9H2,1-2H3/b7-5+/t26-/m0/s1
• InChIKey: SSAJHJHAGLFACN-MXDXTTGUSA-N
• XLogP: 5.13
• TPSA: 72.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 58105085) is (8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(C#N)c3cc(F)cc(F)c3)cc2C)cn1.

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

The InChIKey is SSAJHJHAGLFACN-MXDXTTGUSA-N. The full InChI is InChI=1S/C26H22F2N6/c1-17-10-19(4-6-23(17)33-14-18(2)30-16-33)5-7-24-31-25-26(15-29,8-3-9-34(25)32-24)20-11-21(27)13-22(28)12-20/h4-7,10-14,16H,3,8-9H2,1-2H3/b7-5+/t26-/m0/s1.

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

(8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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 456.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-(3,5-difluorophenyl)-2-[(E)-2-[3-methyl-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 58105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).