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

Systemtic Name: 8-[[5-fluoranyl-2-[(1-piperidin-4-ylpyrazol-3-yl)amino]pyridin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 8-[[5-fluoro-2-[[1-(4-piperidyl)pyrazol-3-yl]amino]-4-pyridyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 8-[[5-fluoro-2-[[1-(4-piperidinyl)-3-pyrazolyl]amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-[[5-fluoro-2-[(1-piperidin-4-ylpyrazol-3-yl)amino]pyridin-4-yl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 8-[[5-fluoro-2-[[1-(4-piperidyl)pyrazol-3-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=NN(C=C4)C5CCNCC5

Isomeric SMILES

CN1CCC2=C(C1=O)C(=CC=C2)NC3=CC(=NC=C3F)NC4=NN(C=C4)C5CCNCC5

InChI

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