tert-butyl 4-(4-(6-amino-5-bromopyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate

HCID 67366272

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(Br)c3)cn2)CC1
InChIKey
QGZVYZUKTVLWDA-UHFFFAOYSA-N
Molecular formula
C18H24BrN5O2
Average molar mass
422.3 g/mol
Monoisotopic mass
421.11134

Names & identifiers

Preferred name
tert-butyl 4-(4-(6-amino-5-bromopyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[4-(6-amino-5-bromo-3-pyridinyl)pyrazol-1-yl]piperidine-1-carboxylate

Names & synonyms

tert-butyl 4-(4-(6-amino-5-bromopyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate1175270-51-5SCHEMBL2330627QGZVYZUKTVLWDA-UHFFFAOYSA-NDB-195273F869454-[4-(6-Amino-5-bromo-3-pyridinyl)-1h-pyrazol-1-yl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester4-[4-(6-amino-5-bromopyridin-3-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid tert-butyl ester4-[4-(6-amino-5-bromopyridin-3-yl)-pyrazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
67366272

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
86.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

Related reactions

6 records

Compound notes

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