N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-3-fluoranyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-3-fluoranyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-3-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-3-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-3-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-3-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C21H18BrFN4OS MolecularWeight: 473.361223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN)NC(=O)C2=C(C(=C(S2)C3=C4C=CNC4=NC=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CC(CN)NC(=O)C2=C(C(=C(S2)C3=C4C=CNC4=NC=C3)Br)F

InChI

InChI=1S/C21H18BrFN4OS/c22-16-17(23)19(21(28)27-13(11-24)10-12-4-2-1-3-5-12)29-18(16)14-6-8-25-20-15(14)7-9-26-20/h1-9,13H,10-11,24H2,(H,25,26)(H,27,28)