N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[4-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[4-[(3R)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-cyclopropanecarboxamide CAS Name: N-[4-[(3R)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide Traditional Name: N-[4-[(3R)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenyl-cyclopropanecarboxamide Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4C5=CC=CC=C5)N

Isomeric SMILES

C1C[C@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4C5=CC=CC=C5)N

InChI

InChI=1S/C22H24BrN5O/c23-17-10-25-21-19(20(17)28-8-4-7-14(24)12-28)18(11-26-21)27-22(29)16-9-15(16)13-5-2-1-3-6-13/h1-3,5-6,10-11,14-16H,4,7-9,12,24H2,(H,25,26)(H,27,29)/t14-,15?,16?/m1/s1