6-(4-fluorophenyl)-7-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

Systemtic Name: 6-(4-fluorophenyl)-7-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one Openeye Name: 6-(4-fluorophenyl)-7-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one CAS Name: 6-(4-fluorophenyl)-7-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-4-pyrimidinyl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one IUPAC Name: 6-(4-fluorophenyl)-7-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one Traditional Name: 6-(4-fluorophenyl)-7-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one Formula: C21H24FN5O2 MolecularWeight: 397.445963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=NC=CC(=N1)C2=C(C(=O)N3N2CCC3)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(C)(C)O)NC1=NC=CC(=N1)C2=C(C(=O)N3N2CCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1