N-[4-[4-azanyl-1-[1-[(1-methylpyrrol-2-yl)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-[(1-methylpyrrol-2-yl)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-[(1-methylpyrrol-2-yl)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-[(1-methyl-2-pyrrolyl)methyl]-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-[(1-methylpyrrol-2-yl)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-[(1-methylpyrrol-2-yl)methyl]-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C31H30F4N8O2 MolecularWeight: 622.615913

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F)OC)C(=NC=N4)N

Isomeric SMILES

CN1C=CC=C1CN2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F)OC)C(=NC=N4)N

InChI

InChI=1S/C31H30F4N8O2/c1-41-11-3-4-21(41)16-42-12-9-20(10-13-42)43-29-26(28(36)37-17-38-29)27(40-43)18-5-8-24(25(14-18)45-2)39-30(44)22-7-6-19(15-23(22)32)31(33,34)35/h3-8,11,14-15,17,20H,9-10,12-13,16H2,1-2H3,(H,39,44)(H2,36,37,38)