(2S,3S)-2-azanyl-1-[(3S)-3-fluoranylpyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]butan-1-one

Systemtic Name: (2S,3S)-2-azanyl-1-[(3S)-3-fluoranylpyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]butan-1-one Openeye Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]butan-1-one CAS Name: (2S,3S)-2-amino-1-[(3S)-3-fluoro-1-pyrrolidinyl]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1-butanone IUPAC Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]butan-1-one Traditional Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidino]-3-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]butan-1-one Formula: C20H22FN5O MolecularWeight: 367.419983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CN3C=NN=C3C=C2)C(C(=O)N4CCC(C4)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=CN3C=NN=C3C=C2)[C@@H](C(=O)N4CC[C@@H](C4)F)N

InChI

InChI=1S/C20H22FN5O/c1-13(19(22)20(27)25-9-8-17(21)11-25)14-2-4-15(5-3-14)16-6-7-18-24-23-12-26(18)10-16/h2-7,10,12-13,17,19H,8-9,11,22H2,1H3/t13-,17-,19-/m0/s1