Catalog Number:
AG01EN3F
Chemical Name:
TAK-659 Hydrochloride
CAS Number:
1952251-28-3
Molecular Formula:
C17H22ClFN6O
Molecular Weight:
380.8476
MDL Number:
MFCD31544322
IUPAC Name:
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;hydrochloride
InChI:
InChI=1S/C17H21FN6O.ClH/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19;/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23);1H/t11-,12+;/m0./s1
InChI Key:
PTCFBXMEFRIEGV-ZVWHLABXSA-N
SMILES:
N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O.Cl
