1,3-dimethyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H29N5OS/c1-15(2)30-21-19(12-24-22-20(21)16(3)26-27(22)4)23(29)25-18-10-11-28(14-18)13-17-8-6-5-7-9-17/h5-9,12,15,18H,10-11,13-14H2,1-4H3,(H,25,29)