(S)-5'-amino-7-(2-fluoropyridin-3-yl)-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-3-ol
Basic information
- Standard SMILES
NC1=N[C@@]2(COC1)c1cc(-c3cccnc3F)ccc1Oc1ncc(O)cc12- InChIKey
BPRAYTYOALIQET-FQEVSTJZSA-N- Molecular formula
- C20H15FN4O3
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.11281852
Names & identifiers
- Preferred name
- (S)-5'-amino-7-(2-fluoropyridin-3-yl)-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-3-ol
- IUPAC
- (3S)-5-amino-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,5'-chromeno[2,3-b]pyridine]-3'-ol
Names & synonyms
SCHEMBL2521143BPRAYTYOALIQET-FQEVSTJZSA-N(S)-5'-amino-7-(2-fluoropyridin-3-yl)-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-3-ol
Database identifiers
- PubChem CID
- 67437546
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 622
Related reactions
4 records
Compound notes
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