N-[4-[4-azanyl-1-(1-methylpiperidin-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-methylpiperidin-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-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-methyl-4-piperidinyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide Traditional Name: N-[4-[4-amino-1-(1-methyl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C26H25F4N7O2 MolecularWeight: 543.516013

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)NC(=O)C5=C(C=C(C=C5)C(F)(F)F)F)OC)C(=NC=N3)N

Isomeric SMILES

CN1CCC(CC1)N2C3=C(C(=N2)C4=CC(=C(C=C4)NC(=O)C5=C(C=C(C=C5)C(F)(F)F)F)OC)C(=NC=N3)N

InChI

InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33)