N-[4-[4-azanyl-1-[1-[(1-methylimidazol-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-methylimidazol-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-methylimidazol-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-imidazolyl)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-methylimidazol-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-methylimidazol-2-yl)methyl]-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C30H29F4N9O2 MolecularWeight: 623.603973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=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=CN=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/C30H29F4N9O2/c1-41-12-9-36-24(41)15-42-10-7-19(8-11-42)43-28-25(27(35)37-16-38-28)26(40-43)17-3-6-22(23(13-17)45-2)39-29(44)20-5-4-18(14-21(20)31)30(32,33)34/h3-6,9,12-14,16,19H,7-8,10-11,15H2,1-2H3,(H,39,44)(H2,35,37,38)