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

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(3,4-difluorophenyl)methyl]-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(3,4-difluorophenyl)methyl]-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(3,4-difluorophenyl)methyl]-1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(3,4-difluorobenzyl)-4-[[(1S)-1,2-dimethylpropyl]amino]-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25F2N5O MolecularWeight: 401.452906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N5O/c1-5-28-20-15(11-26-28)19(27-13(4)12(2)3)16(10-24-20)21(29)25-9-14-6-7-17(22)18(23)8-14/h6-8,10-13H,5,9H2,1-4H3,(H,24,27)(H,25,29)/t13-/m0/s1