8-[[5-fluoranyl-2-[(1-piperidin-3-ylpyrazol-4-yl)amino]pyridin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 8-[[5-fluoranyl-2-[(1-piperidin-3-ylpyrazol-4-yl)amino]pyridin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 8-[[5-fluoro-2-[[1-(3-piperidyl)pyrazol-4-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 8-[[5-fluoro-2-[[1-(3-piperidinyl)-4-pyrazolyl]amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-[[5-fluoro-2-[(1-piperidin-3-ylpyrazol-4-yl)amino]pyridin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 8-[[5-fluoro-2-[[1-(3-piperidyl)pyrazol-4-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisocarbostyril Formula: C23H26FN7O MolecularWeight: 435.497243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3F)NC4=CN(N=C4)C5CCCNC5

Isomeric SMILES

CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3F)NC4=CN(N=C4)C5CCCNC5

InChI

InChI=1S/C23H26FN7O/c1-30-9-7-15-4-2-6-19(22(15)23(30)32)29-20-10-21(26-13-18(20)24)28-16-11-27-31(14-16)17-5-3-8-25-12-17/h2,4,6,10-11,13-14,17,25H,3,5,7-9,12H2,1H3,(H2,26,28,29)