(2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
Basic information
- Standard SMILES
CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc(N)nn2c1-c1cc(F)c2c(c1C)CCCO2- InChIKey
AQLUBBXBZGWAHB-QHCPKHFHSA-N- Molecular formula
- C25H31FN4O4
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.23293364
Names & identifiers
- Preferred name
- (2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
- IUPAC
- ethyl (2S)-2-[2-amino-7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
Names & synonyms
SCHEMBL15249777AQLUBBXBZGWAHB-QHCPKHFHSA-N(2S)-ethyl 2-(2-amino-7-(8-fluoro-5-methylchroman-6-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
Database identifiers
- PubChem CID
- 86695370
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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