N-[4-[4-azanyl-1-[1-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C30H29F4N9O2 MolecularWeight: 623.603973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)CN2CCC(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

CC1=C(C=NN1)CN2CCC(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/C30H29F4N9O2/c1-16-18(13-38-40-16)14-42-9-7-20(8-10-42)43-28-25(27(35)36-15-37-28)26(41-43)17-3-6-23(24(11-17)45-2)39-29(44)21-5-4-19(12-22(21)31)30(32,33)34/h3-6,11-13,15,20H,7-10,14H2,1-2H3,(H,38,40)(H,39,44)(H2,35,36,37)