3,6-dimethyl-1-(phenylmethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 3,6-dimethyl-1-(phenylmethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-benzyl-3,6-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 3,6-dimethyl-1-(phenylmethyl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-3,6-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-benzyl-3,6-dimethyl-N-(4-pyrrolidinobenzyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2CC3=CC=CC=C3)C)C(=C1)C(=O)NCC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=NC2=C(C(=NN2CC3=CC=CC=C3)C)C(=C1)C(=O)NCC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C27H29N5O/c1-19-16-24(25-20(2)30-32(26(25)29-19)18-22-8-4-3-5-9-22)27(33)28-17-21-10-12-23(13-11-21)31-14-6-7-15-31/h3-5,8-13,16H,6-7,14-15,17-18H2,1-2H3,(H,28,33)