6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(1-methyl-3-pyrazin-2-yl-1h-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-2h-pyran-2-one

HCID 58764014

Basic information

Standard SMILES
COc1cc(OC)c(CCC2(C3CCCC3)CC(O)=C(Cc3nc(-c4cnccn4)nn3C)C(=O)O2)cc1Cl
InChIKey
YCZHZAGXSXRFIQ-UHFFFAOYSA-N
Molecular formula
C28H32ClN5O5
Average molar mass
554 g/mol

Names & identifiers

Preferred name
6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(1-methyl-3-pyrazin-2-yl-1h-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-2h-pyran-2-one
IUPAC
2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-2-cyclopentyl-4-hydroxy-5-[(2-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)methyl]-3H-pyran-6-one

Names & synonyms

SCHEMBL4465720YCZHZAGXSXRFIQ-UHFFFAOYSA-N6-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-4-hydroxy-3-[(1-methyl-3-pyrazin-2-yl-1h-1,2,4-triazol-5-yl)methyl]-5,6-dihydro-2h-pyran-2-one

Database identifiers

PubChem CID
58764014

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
39

Related reactions

4 records

Compound notes

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