N-(2-azanyl-1,3-benzothiazol-5-yl)-5-fluoranyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-(2-azanyl-1,3-benzothiazol-5-yl)-5-fluoranyl-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-(2-amino-1,3-benzothiazol-5-yl)-5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide CAS Name: N-(2-amino-1,3-benzothiazol-5-yl)-5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-(2-amino-1,3-benzothiazol-5-yl)-5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-(2-amino-1,3-benzothiazol-5-yl)-5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)nicotinamide Formula: C21H16FN7OS MolecularWeight: 433.461443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=CC(=CN=C3NCC4=C5C=CNC5=NC=C4)F)N=C(S2)N

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=CC(=CN=C3NCC4=C5C=CNC5=NC=C4)F)N=C(S2)N

InChI

InChI=1S/C21H16FN7OS/c22-12-7-15(20(30)28-13-1-2-17-16(8-13)29-21(23)31-17)19(27-10-12)26-9-11-3-5-24-18-14(11)4-6-25-18/h1-8,10H,9H2,(H2,23,29)(H,24,25)(H,26,27)(H,28,30)