Basic information
- Standard SMILES
NC1=N[C@@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1c2cc(N2CCC(F)(F)C2)nc1F- InChIKey
IZKYGRZLFGLXMV-QHCPKHFHSA-N- Molecular formula
- C23H18F3N5O2
- Average molar mass
- 453.4 g/mol
Names & identifiers
- Preferred name
- (S)-3-(3,3-difluoropyrrolidin-1-yl)-1-fluoro-7-(pyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
- IUPAC
- (4S)-3'-(3,3-difluoropyrrolidin-1-yl)-1'-fluoro-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
Names & synonyms
(S)-3-(3,3-difluoropyrrolidin-1-yl)-1-fluoro-7-(pyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amineSCHEMBL2382795
Database identifiers
- PubChem CID
- 58466280
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 787
Related reactions
1 records
Compound notes
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