N-(3-phenylpropyl)-1-pyridin-2-yl-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide

Systemtic Name: N-(3-phenylpropyl)-1-pyridin-2-yl-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: N-(3-phenylpropyl)-1-(2-pyridyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-(3-phenylpropyl)-1-(2-pyridinyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(3-phenylpropyl)-1-pyridin-2-yl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: N-(3-phenylpropyl)-1-(2-pyridyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)C5=CC=CC=N5

InChI

InChI=1S/C25H21N5OS/c31-25(28-15-6-10-18-8-2-1-3-9-18)23-22-19(20-11-7-17-32-20)13-16-27-24(22)30(29-23)21-12-4-5-14-26-21/h1-5,7-9,11-14,16-17H,6,10,15H2,(H,28,31)