N-(3-morpholin-4-ylpropyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridine-3-carboxamide Openeye Name: 1-benzyl-N-(3-morpholinopropyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpyrazolo[3,4-b]pyridine-3-carboxamide Traditional Name: 1-benzyl-N-(3-morpholinopropyl)-4-(2-thienyl)pyrazolo[3,4-b]pyridine-3-carboxamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2S/c31-25(27-10-5-12-29-13-15-32-16-14-29)23-22-20(21-8-4-17-33-21)9-11-26-24(22)30(28-23)18-19-6-2-1-3-7-19/h1-4,6-9,11,17H,5,10,12-16,18H2,(H,27,31)