2-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-[(2-propan-2-ylsulfonylphenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone

Systemtic Name: 2-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-[(2-propan-2-ylsulfonylphenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone Openeye Name: 2-[(3R)-3-fluoropyrrolidin-1-yl]-1-[4-[4-[[4-(2-isopropylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]-1-piperidyl]ethanone CAS Name: 2-[(3R)-3-fluoro-1-pyrrolidinyl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)-2-pyrazolo[1,5-a][1,3,5]triazinyl]amino]phenyl]-1-piperidinyl]ethanone IUPAC Name: 2-[(3R)-3-fluoropyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone Traditional Name: 2-[(3R)-3-fluoropyrrolidino]-1-[4-[4-[[4-(2-isopropylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]piperidino]ethanone Formula: C33H41FN8O4S MolecularWeight: 664.793243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)CN3CCC(C3)F)OC)NC4=NC5=CC=NN5C(=N4)NC6=CC=CC=C6S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2CCN(CC2)C(=O)CN3CC[C@H](C3)F)OC)NC4=NC5=CC=NN5C(=N4)NC6=CC=CC=C6S(=O)(=O)C(C)C

InChI

InChI=1S/C33H41FN8O4S/c1-21(2)47(44,45)29-8-6-5-7-26(29)37-33-39-32(38-30-9-13-35-42(30)33)36-27-17-22(3)25(18-28(27)46-4)23-10-15-41(16-11-23)31(43)20-40-14-12-24(34)19-40/h5-9,13,17-18,21,23-24H,10-12,14-16,19-20H2,1-4H3,(H2,36,37,38,39)/t24-/m1/s1