924641-59-8
[4-[[5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]-2-PYRIMIDINYL]AMINO]PHENYL][(3S)-3-(METHYLAMINO)-1-PYRROLIDINYL]METHANONE
Name[4-[[5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]-2-PYRIMIDINYL]AMINO]PHENYL][(3S)-3-(METHYLAMINO)-1-PYRROLIDINYL]METHANONE
1Identification
【Name】
[4-[[5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]-2-PYRIMIDINYL]AMINO]PHENYL][(3S)-3-(METHYLAMINO)-1-PYRROLIDINYL]METHANONE
【CAS】
【MDL】
MFCD13184818
【English Synonyms】
【Formula】
C23 H28 F N7 O
【MolWeight】
437.52
【Inchi】
InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1
【InChIKey】
InChIKey=NTSDIJMNXYJJNG-SFHVURJKSA-N
【SMILES】
Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)NC)F
【MOL File】
[4-[[5-FLUORO-4-[2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[4-[[5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]-2-PYRIMIDINYL]AMINO]PHENYL][(3S)-3-(METHYLAMINO)-1-PYRROLIDINYL]METHANONE.cml