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

C26H24N6 — CID 58259729

IUPAC(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@]4(C#N)c3ccccc3)cc2C)cn1
InChIInChI=1S/C26H24N6/c1-19-15-21(9-11-23(19)31-16-20(2)28-18-31)10-12-24-29-25-26(17-27,13-6-14-32(25)30-24)22-7-4-3-5-8-22/h3-5,7-12,15-16,18H,6,13-14H2,1-2H3/b12-10+/t26-/m1/s1
InChIKeySLGLZSNGQQXOHG-LEYIMRRPSA-N
MW420.52 g/mol
LogP4.85
Rot. Bonds4

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

(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 58259729) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID58259729
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@]4(C#N)c3ccccc3)cc2C)cn1
InChIInChI=1S/C26H24N6/c1-19-15-21(9-11-23(19)31-16-20(2)28-18-31)10-12-24-29-25-26(17-27,13-6-14-32(25)30-24)22-7-4-3-5-8-22/h3-5,7-12,15-16,18H,6,13-14H2,1-2H3/b12-10+/t26-/m1/s1
InChIKeySLGLZSNGQQXOHG-LEYIMRRPSA-N
XLogP4.85
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 58259729) is (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-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)c3ccccc3)cc2C)cn1.
What is the InChIKey of (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is SLGLZSNGQQXOHG-LEYIMRRPSA-N. The full InChI is InChI=1S/C26H24N6/c1-19-15-21(9-11-23(19)31-16-20(2)28-18-31)10-12-24-29-25-26(17-27,13-6-14-32(25)30-24)22-7-4-3-5-8-22/h3-5,7-12,15-16,18H,6,13-14H2,1-2H3/b12-10+/t26-/m1/s1.
What are the key properties of (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
(8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(E)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 58259729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).