N-[4-[(3S)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-[(3S)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[4-[(3S)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[4-[(3S)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[4-[(3S)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-keto-pyrrolidine-2-carboxamide Formula: C17H21BrN6O2 MolecularWeight: 421.29164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CCC(=O)N4)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CCC(=O)N4)N

InChI

InChI=1S/C17H21BrN6O2/c18-10-6-20-16-14(15(10)24-5-1-2-9(19)8-24)12(7-21-16)23-17(26)11-3-4-13(25)22-11/h6-7,9,11H,1-5,8,19H2,(H,20,21)(H,22,25)(H,23,26)/t9-,11?/m0/s1