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
- Formal charge
- 0
- Complexity
- 492
Related reactions
6 records
Compound notes
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