Basic information
- Standard SMILES
COC(=O)[C@@H](O)c1c(C)nc2cc(Br)nn2c1N1CCC(C)(C)CC1- InChIKey
HHHIDXHRKXFWMC-AWEZNQCLSA-N- Molecular formula
- C17H23BrN4O3
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.09535
Names & identifiers
- Preferred name
- (S)-methyl 2-(2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate
- IUPAC
- methyl (2S)-2-[2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetate
Names & synonyms
SCHEMBL15227183HHHIDXHRKXFWMC-AWEZNQCLSA-N(S)-methyl 2-(2-bromo-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate
Database identifiers
- PubChem CID
- 86695080
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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