N-[4-[4-azanyl-1-[1-(thiophen-2-ylmethyl)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-(thiophen-2-ylmethyl)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-(2-thienylmethyl)-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-(thiophen-2-ylmethyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-(thiophen-2-ylmethyl)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-(2-thenyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C30H27F4N7O2S MolecularWeight: 625.639693

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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=CS5)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=CS5)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F

InChI

InChI=1S/C30H27F4N7O2S/c1-43-24-13-17(4-7-23(24)38-29(42)21-6-5-18(14-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)19-8-10-40(11-9-19)15-20-3-2-12-44-20/h2-7,12-14,16,19H,8-11,15H2,1H3,(H,38,42)(H2,35,36,37)