N-[4-[4-azanyl-1-[1-[(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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-fluorophenyl)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-fluorobenzyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C32H28F5N7O2 MolecularWeight: 637.602436

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H28F5N7O2/c1-46-26-14-19(5-8-25(26)41-31(45)23-7-6-20(15-24(23)34)32(35,36)37)28-27-29(38)39-17-40-30(27)44(42-28)22-9-11-43(12-10-22)16-18-3-2-4-21(33)13-18/h2-8,13-15,17,22H,9-12,16H2,1H3,(H,41,45)(H2,38,39,40)