trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl 2-(acetyloxy)-2-methylpropanoate (HCID 67010187)

Substructure search Find similar structures

Basic information

Standard SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OC(=O)C(C)(C)OC(C)=O)CC2)c2ccnn12
InChIKey: WZNBTYMTYREAKW-UHFFFAOYSA-N
Molecular formula: C35H38N4O5
Average molar mass: 594.7 g/mol

Names & identifiers

Preferred name: trans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl 2-(acetyloxy)-2-methylpropanoate
IUPAC: [4-[6-[[4-(2-cyanophenyl)phenyl]methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4-yl]cyclohexyl] 2-acetyloxy-2-methylpropanoate

Names & synonyms

SCHEMBL1374188SCHEMBL1374192WZNBTYMTYREAKW-QVYRIUEQSA-Ntrans-4-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propylpyrazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl 2-(acetyloxy)-2-methylpropanoate

Database identifiers

PubChem CID: 67010187

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 115 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 11
Heavy atoms: 44
Formal charge: 0
Complexity: 1,140

Related reactions

1 records

New reaction record

HRID 86208As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

Loading…