(S)-4-(2-amino-5'-fluoro-2'-(5-(prop-1-ynyl)pyridin-3-yl)-5H-spiro[oxazole-4,9'-xanthene]-7'-yl)-2-methylbut-3-yn-2-ol

HCID 58466192
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Basic information

Standard SMILES
CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(C#CC(C)(C)O)cc(F)c2O3)c1
InChIKey
ZQGOKJBKWRSCEY-NDEPHWFRSA-N
Molecular formula
C28H22FN3O3
Average molar mass
467.5 g/mol
Monoisotopic mass
467.16451973

Names & identifiers

Preferred name
(S)-4-(2-amino-5'-fluoro-2'-(5-(prop-1-ynyl)pyridin-3-yl)-5H-spiro[oxazole-4,9'-xanthene]-7'-yl)-2-methylbut-3-yn-2-ol
IUPAC
4-[(4S)-2-amino-4'-fluoro-7'-(5-prop-1-ynyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-2-methylbut-3-yn-2-ol

Names & synonyms

SCHEMBL2422226ZQGOKJBKWRSCEY-NDEPHWFRSA-N(S)-4-(2-amino-5'-fluoro-2'-(5-(prop-1-ynyl)pyridin-3-yl)-5H-spiro[oxazole-4,9'-xanthene]-7'-yl)-2-methylbut-3-yn-2-ol

Database identifiers

PubChem CID
58466192

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
90 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

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