N-[4-[4-azanyl-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoranyl-4-(trifluoromethyl)benzamide

Systemtic Name: N-[4-[4-azanyl-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoranyl-4-(trifluoromethyl)benzamide Openeye Name: N-[4-[4-amino-1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide CAS Name: N-[4-[4-amino-1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide Traditional Name: N-[4-[4-amino-1-[1-(3-cyanobenzyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C33H28F4N8O2 MolecularWeight: 644.621433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CC5=CC=CC(=C5)C#N)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CC5=CC=CC(=C5)C#N)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F

InChI

InChI=1S/C33H28F4N8O2/c1-47-27-14-21(5-8-26(27)42-32(46)24-7-6-22(15-25(24)34)33(35,36)37)29-28-30(39)40-18-41-31(28)45(43-29)23-9-11-44(12-10-23)17-20-4-2-3-19(13-20)16-38/h2-8,13-15,18,23H,9-12,17H2,1H3,(H,42,46)(H2,39,40,41)