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

Systemtic Name: N-(diphenylmethyl)-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzhydryl-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(diphenylmethyl)-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzhydryl-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzhydryl-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC(C)C(C)C)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)N[C@@H](C)C(C)C)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O/c1-5-32-26-22(17-29-32)25(30-19(4)18(2)3)23(16-28-26)27(33)31-24(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,24H,5H2,1-4H3,(H,28,30)(H,31,33)/t19-/m0/s1