N-[4-[4-azanyl-1-[1-(1H-imidazol-2-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-(1H-imidazol-2-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-(1H-imidazol-2-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-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-2-fluoro-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-[4-amino-1-[1-(1H-imidazol-2-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-(1H-imidazol-2-ylmethyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-2-fluoro-4-(trifluoromethyl)benzamide Formula: C29H27F4N9O2 MolecularWeight: 609.577393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCN(CC4)CC5=NC=CN5)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=NC=CN5)NC(=O)C6=C(C=C(C=C6)C(F)(F)F)F

InChI

InChI=1S/C29H27F4N9O2/c1-44-22-12-16(2-5-21(22)39-28(43)19-4-3-17(13-20(19)30)29(31,32)33)25-24-26(34)37-15-38-27(24)42(40-25)18-6-10-41(11-7-18)14-23-35-8-9-36-23/h2-5,8-9,12-13,15,18H,6-7,10-11,14H2,1H3,(H,35,36)(H,39,43)(H2,34,37,38)