trans-4-(8-Amino-1-bromo-imidazo[1,5-a]pyrazin-3-yl)-cyclohexanecarboxylic acid methyl ester

HCID 66915664
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1CCC(c2nc(Br)c3c(N)nccn23)CC1
InChIKey
NUQGLNRHMBDWTR-UHFFFAOYSA-N
Molecular formula
C14H17BrN4O2
Average molar mass
353.21 g/mol

Names & identifiers

Preferred name
trans-4-(8-Amino-1-bromo-imidazo[1,5-a]pyrazin-3-yl)-cyclohexanecarboxylic acid methyl ester
IUPAC
methyl 4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxylate

Names & synonyms

SCHEMBL1129633SCHEMBL1129637NUQGLNRHMBDWTR-KYZUINATSA-Ntrans-4-(8-amino-1-bromo-imidazo[1,5-a]pyrazin-3-yl)-cyclohexanecarboxylic acid methyl ester

Database identifiers

PubChem CID
66915664

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
82.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

Loading…