1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]-N-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzyl-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]-N-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzyl-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzyl-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC(C)C(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)N[C@@H](C)C(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O/c1-5-26-20-17(13-24-26)19(25-15(4)14(2)3)18(12-22-20)21(27)23-11-16-9-7-6-8-10-16/h6-10,12-15H,5,11H2,1-4H3,(H,22,25)(H,23,27)/t15-/m0/s1