4'-[(4-{trans-4-[Hydroxy(4-methoxyphenyl)methyl]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

HCID 67009031
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Basic information

Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(C(O)c3ccc(OC)cc3)CC2)c2ncnn12
InChIKey
JWIMCKMCYJWAFQ-UHFFFAOYSA-N
Molecular formula
C36H37N5O3
Average molar mass
587.7 g/mol

Names & identifiers

Preferred name
4'-[(4-{trans-4-[Hydroxy(4-methoxyphenyl)methyl]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile
IUPAC
2-[4-[[4-[4-[hydroxy-(4-methoxyphenyl)methyl]cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile

Names & synonyms

SCHEMBL1371307SCHEMBL1371312JWIMCKMCYJWAFQ-BPHARUEYSA-N4'-[(4-{trans-4-[hydroxy(4-methoxyphenyl)methyl]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Database identifiers

PubChem CID
67009031

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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