Methyl 2-(2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-oxoacetate

HCID 86695079
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Basic information

Standard SMILES
COC(=O)C(=O)c1c(C)nc2cc(Br)nn2c1N1CCC(C)(C)CC1
InChIKey
PGRGPLOMVGTSCU-UHFFFAOYSA-N
Molecular formula
C17H21BrN4O3
Average molar mass
409.3 g/mol

Names & identifiers

Preferred name
Methyl 2-(2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-oxoacetate
IUPAC
methyl 2-[2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-oxoacetate

Names & synonyms

SCHEMBL15226872PGRGPLOMVGTSCU-UHFFFAOYSA-Nmethyl 2-(2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-oxoacetate

Database identifiers

PubChem CID
86695079

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
76.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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