1,3-dimethyl-N-(oxolan-2-ylmethyl)-4-[(phenylmethyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-(oxolan-2-ylmethyl)-4-[(phenylmethyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-(benzylamino)-1,3-dimethyl-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-(2-oxolanylmethyl)-4-[(phenylmethyl)amino]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-(benzylamino)-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-(benzylamino)-1,3-dimethyl-N-(tetrahydrofurfuryl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=CC=C3)C(=O)NCC4CCCO4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=CC=C3)C(=O)NCC4CCCO4)C

InChI

InChI=1S/C21H25N5O2/c1-14-18-19(22-11-15-7-4-3-5-8-15)17(13-23-20(18)26(2)25-14)21(27)24-12-16-9-6-10-28-16/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,22,23)(H,24,27)