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Details

Stereochemistry EPIMERIC
Molecular Formula C17H19F3N6O2
Molecular Weight 396.367
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4R)-3-ETHYL-4-(3H-IMIDAZO(1,2-A)PYRROLO(2,3-E)PYRAZIN-8-YL)-N-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PYRROLIDINE-1-CARBOXAMIDE

SMILES

CC[C@@H]1CN(C[C@@H]1C2=CN=C3C=NC4=C(C=CN4)N23)C(=O)NC(O)C(F)(F)F

InChI

InChIKey=QUJNFFXMPVZDEQ-ODLMARSHSA-N
InChI=1S/C17H19F3N6O2/c1-2-9-7-25(16(28)24-15(27)17(18,19)20)8-10(9)12-5-22-13-6-23-14-11(26(12)13)3-4-21-14/h3-6,9-10,15,21,27H,2,7-8H2,1H3,(H,24,28)/t9-,10+,15?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19F3N6O2
Molecular Weight 396.367
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7AM4F4K5VA
Record Status Validated (UNII)
Record Version