(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C24H23ClN6O — CID 25210896

IUPAC(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O/c1-16-14-30(15-26-16)21-11-9-19(27-24(21)32-2)10-12-22-28-23-20(4-3-13-31(23)29-22)17-5-7-18(25)8-6-17/h5-12,14-15,20H,3-4,13H2,1-2H3/b12-10+/t20-/m0/s1
InChIKeyKKYCHPXJZDKMLT-XETPZZHUSA-N
MW446.94 g/mol
LogP4.93
Rot. Bonds5

About (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 25210896) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID25210896
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O/c1-16-14-30(15-26-16)21-11-9-19(27-24(21)32-2)10-12-22-28-23-20(4-3-13-31(23)29-22)17-5-7-18(25)8-6-17/h5-12,14-15,20H,3-4,13H2,1-2H3/b12-10+/t20-/m0/s1
InChIKeyKKYCHPXJZDKMLT-XETPZZHUSA-N
XLogP4.93
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 25210896) is (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccc(Cl)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KKYCHPXJZDKMLT-XETPZZHUSA-N. The full InChI is InChI=1S/C24H23ClN6O/c1-16-14-30(15-26-16)21-11-9-19(27-24(21)32-2)10-12-22-28-23-20(4-3-13-31(23)29-22)17-5-7-18(25)8-6-17/h5-12,14-15,20H,3-4,13H2,1-2H3/b12-10+/t20-/m0/s1.
What are the key properties of (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 446.94 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-chlorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 25210896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).