(3aR,7aS)-tert-butyl 5-(3-(3-amino-6-(2,6-difluorophenyl)picolinamido)-pyridin-4-yl)-2-oxohexahydrooxazolo[4,5-c]pyridine-3(2H)-carboxylate

HCID 69045136
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C(=O)O[C@H]2CCN(c3ccncc3NC(=O)c3nc(-c4c(F)cccc4F)ccc3N)C[C@H]21
InChIKey
FUWBYGGFAAYEJU-YADHBBJMSA-N
Molecular formula
C28H28F2N6O5
Average molar mass
566.6 g/mol
Monoisotopic mass
566.20892434

Names & identifiers

Preferred name
(3aR,7aS)-tert-butyl 5-(3-(3-amino-6-(2,6-difluorophenyl)picolinamido)-pyridin-4-yl)-2-oxohexahydrooxazolo[4,5-c]pyridine-3(2H)-carboxylate
IUPAC
tert-butyl (3aR,7aS)-5-[3-[[3-amino-6-(2,6-difluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[4,5-c]pyridine-3-carboxylate

Names & synonyms

SCHEMBL4439847FUWBYGGFAAYEJU-YADHBBJMSA-N(3aR,7aS)-tert-butyl 5-(3-(3-amino-6-(2,6-difluorophenyl)picolinamido)-pyridin-4-yl)-2-oxohexahydrooxazolo[4,5-c]pyridine-3(2H)-carboxylate

Database identifiers

PubChem CID
69045136

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
140 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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