(8S)-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-8-carbonitrile

C26H23FN6 — CID 58259648

IUPAC(8S)-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-8-carbonitrile
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@]4(C#N)c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C26H23FN6/c1-18-14-20(4-10-23(18)32-15-19(2)29-17-32)5-11-24-30-25-26(16-28,12-3-13-33(25)31-24)21-6-8-22(27)9-7-21/h4-11,14-15,17H,3,12-13H2,1-2H3/b11-5+/t26-/m1/s1
InChIKeyWWFFHPBGQJRQEI-RIAVHRKDSA-N
MW438.51 g/mol
LogP4.99
Rot. Bonds4

About (8S)-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-8-carbonitrile

(8S)-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-8-carbonitrile (PubChem CID 58259648) has the molecular formula C26H23FN6 and a molecular weight of 438.51 g/mol. Its IUPAC name is (8S)-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-8-carbonitrile.

Molecular Properties

Compound Name(8S)-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-8-carbonitrile
PubChem CID58259648
Molecular FormulaC26H23FN6
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name(8S)-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-8-carbonitrile
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@]4(C#N)c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C26H23FN6/c1-18-14-20(4-10-23(18)32-15-19(2)29-17-32)5-11-24-30-25-26(16-28,12-3-13-33(25)31-24)21-6-8-22(27)9-7-21/h4-11,14-15,17H,3,12-13H2,1-2H3/b11-5+/t26-/m1/s1
InChIKeyWWFFHPBGQJRQEI-RIAVHRKDSA-N
XLogP4.99
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-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-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-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-8-carbonitrile?
The IUPAC name of (8S)-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-8-carbonitrile (CID 58259648) is (8S)-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-8-carbonitrile.
What is the SMILES notation for (8S)-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-8-carbonitrile?
The canonical SMILES for (8S)-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-8-carbonitrile is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@@]4(C#N)c3ccc(F)cc3)cc2C)cn1.
What is the InChIKey of (8S)-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-8-carbonitrile?
The InChIKey is WWFFHPBGQJRQEI-RIAVHRKDSA-N. The full InChI is InChI=1S/C26H23FN6/c1-18-14-20(4-10-23(18)32-15-19(2)29-17-32)5-11-24-30-25-26(16-28,12-3-13-33(25)31-24)21-6-8-22(27)9-7-21/h4-11,14-15,17H,3,12-13H2,1-2H3/b11-5+/t26-/m1/s1.
What are the key properties of (8S)-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-8-carbonitrile?
(8S)-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-8-carbonitrile has a molecular weight of 438.51 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-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-8-carbonitrile is sourced from PubChem (CID 58259648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).