N-[4-[4-azanyl-1-[1-(1,3-thiazol-5-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-(1,3-thiazol-5-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-(thiazol-5-ylmethyl)-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-(5-thiazolylmethyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-(1,3-thiazol-5-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-(thiazol-5-ylmethyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C29H26F4N8O2S MolecularWeight: 626.627753

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

InChI

InChI=1S/C29H26F4N8O2S/c1-43-23-10-16(2-5-22(23)38-28(42)20-4-3-17(11-21(20)30)29(31,32)33)25-24-26(34)36-14-37-27(24)41(39-25)18-6-8-40(9-7-18)13-19-12-35-15-44-19/h2-5,10-12,14-15,18H,6-9,13H2,1H3,(H,38,42)(H2,34,36,37)