4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)N2CCC(=CC2)C3=CC4=C(C=CN=C4N3)NC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

C1CCC(C1)NC(=O)N2CCC(=CC2)C3=CC4=C(C=CN=C4N3)NC5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C25H26N6OS/c32-25(29-17-3-1-2-4-17)31-11-8-16(9-12-31)22-14-19-20(7-10-26-24(19)30-22)28-18-5-6-21-23(13-18)33-15-27-21/h5-8,10,13-15,17H,1-4,9,11-12H2,(H,29,32)(H2,26,28,30)