methyl 6-(5-chloranylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: methyl 6-(5-chloranylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 6-(5-chloro-2-thienyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(5-chloro-2-thiophenyl)-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(5-chlorothiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(5-chloro-2-thienyl)-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C18H13ClN4O2S MolecularWeight: 384.83942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=NC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=NC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H13ClN4O2S/c1-25-18(24)12-8-14(15-2-3-16(19)26-15)22-17-13(12)9-21-23(17)10-11-4-6-20-7-5-11/h2-9H,10H2,1H3