methyl 3-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C25H19N5O3S MolecularWeight: 469.51506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O3S/c1-33-25(32)22-20(9-12-34-22)29-24(31)18-13-21(17-5-3-2-4-6-17)28-23-19(18)14-27-30(23)15-16-7-10-26-11-8-16/h2-14H,15H2,1H3,(H,29,31)