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

Systemtic Name: N-[4-[(3S)-3-azanylpiperidin-1-yl]-5-bromanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-[(3S)-3-amino-1-piperidyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[4-[(3S)-3-amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-[(3S)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[4-[(3S)-3-aminopiperidino]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-pyrazole-4-carboxamide Formula: C17H20BrN7O MolecularWeight: 418.291

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC2=CNC3=NC=C(C(=C23)N4CCCC(C4)N)Br

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC2=CNC3=NC=C(C(=C23)N4CCC[C@@H](C4)N)Br

InChI

InChI=1S/C17H20BrN7O/c1-24-8-10(5-22-24)17(26)23-13-7-21-16-14(13)15(12(18)6-20-16)25-4-2-3-11(19)9-25/h5-8,11H,2-4,9,19H2,1H3,(H,20,21)(H,23,26)/t11-/m0/s1