(S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-morpholino-5H-spiro[oxazole-4,9'-xanthen]-2-amine

HCID 53465003

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Basic information

Standard SMILES: NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c(F)cc(N3CCOCC3)cc12
InChIKey: IWIBSPRXMYPEGW-DEOSSOPVSA-N
Molecular formula: C24H20F2N4O3
Average molar mass: 450.4 g/mol

Names & identifiers

Preferred name: (S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-morpholino-5H-spiro[oxazole-4,9'-xanthen]-2-amine
IUPAC: (4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

Names & synonyms

CHEMBL3354719SCHEMBL2522310IWIBSPRXMYPEGW-DEOSSOPVSA-NBDBM50032738(S)-4'-fluoro-7'-(2-fluoropyridin-3-yl)-2'-morpholino-5H-spiro[oxazole-4,9'-xanthen]-2-amine

Database identifiers

PubChem CID: 53465003
ChEMBL: CHEMBL3354719

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 82.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 33
Formal charge: 0
Complexity: 753

Related reactions

1 records

New reaction record

HRID 335930As productuspto-grants-2014_11

Compound notes

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