(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one

C92H114ClF7N28O4 — CID 159380164

IUPAC(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cc(F)cc(Cl)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cccc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(C3CCC(C)(C)CC3)cn2)n1
InChIInChI=1S/C24H37N7O.2C23H26F3N7O.C22H25ClFN7O/c1-16(2)20-14-29(6)23(32)31(20)21-9-12-25-22(28-21)27-17(3)19-13-30(15-26-19)18-7-10-24(4,5)11-8-18;1-14(2)19-12-31(4)22(34)33(19)20-9-10-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-16(6-8-17)23(24,25)26;1-14(2)19-12-31(4)22(34)33(19)20-8-9-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-6-16(10-17)23(24,25)26;1-13(2)19-11-29(4)22(32)31(19)20-5-6-25-21(28-20)27-14(3)18-10-30(12-26-18)17-8-15(23)7-16(24)9-17/h9,12-13,15-18,20H,7-8,10-11,14H2,1-6H3,(H,25,27,28);2*5-11,13-15,19H,12H2,1-4H3,(H,27,29,30);5-10,12-14,19H,11H2,1-4H3,(H,25,27,28)/t17-,20+;2*15-,19+;14-,19+/m0000/s1
InChIKeyLKUQPVNBYJPGNJ-SIYVJWKSSA-N
MW1844.55 g/mol
LogP18.91
Rot. Bonds24

About (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one

(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 159380164) has the molecular formula C92H114ClF7N28O4 and a molecular weight of 1844.55 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
PubChem CID159380164
Molecular FormulaC92H114ClF7N28O4
Molecular Weight1844.55 g/mol
Exact Mass1842.92
IUPAC Name(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cc(F)cc(Cl)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cccc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(C3CCC(C)(C)CC3)cn2)n1
InChIInChI=1S/C24H37N7O.2C23H26F3N7O.C22H25ClFN7O/c1-16(2)20-14-29(6)23(32)31(20)21-9-12-25-22(28-21)27-17(3)19-13-30(15-26-19)18-7-10-24(4,5)11-8-18;1-14(2)19-12-31(4)22(34)33(19)20-9-10-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-16(6-8-17)23(24,25)26;1-14(2)19-12-31(4)22(34)33(19)20-8-9-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-6-16(10-17)23(24,25)26;1-13(2)19-11-29(4)22(32)31(19)20-5-6-25-21(28-20)27-14(3)18-10-30(12-26-18)17-8-15(23)7-16(24)9-17/h9,12-13,15-18,20H,7-8,10-11,14H2,1-6H3,(H,25,27,28);2*5-11,13-15,19H,12H2,1-4H3,(H,27,29,30);5-10,12-14,19H,11H2,1-4H3,(H,25,27,28)/t17-,20+;2*15-,19+;14-,19+/m0000/s1
InChIKeyLKUQPVNBYJPGNJ-SIYVJWKSSA-N
XLogP18.91
TPSA316.72 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.55
LogP ≤ 518.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

(5S)-1-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3,5-dichlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5S)-1-[2-[[1-[1-(5-methyl-2-pyridinyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 157315670
(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[1-[1-(4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-5-propan-2-yl-1-[2-[[1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 157451449
(7S)-6-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-7-propan-2-yl-4,6-diazaspiro[2.4]heptan-5-one;(5S)-4,4-dimethyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(7S)-4-methyl-7-propan-2-yl-6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one;(7S)-7-propan-2-yl-6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one
CID 157526526
(4R)-3-[6-chloro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one;(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 157564286
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-(1,1-dideuterioethyl)-5-propan-2-ylimidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-3,4-dimethyl-5-propan-2-ylimidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 157691656
(4S)-3-[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3,4-dichlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3,5-dichlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 157971309
4-(6-chloro-2-methylbenzimidazol-1-yl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one;6-(5-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-5-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158125607
(4S)-3-[6-chloro-2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1-methylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1-(trideuteriomethyl)imidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 158253855
(4S)-3-[2-[[1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[1-(3-propan-2-ylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5S)-1-[2-[[1-[1-(6-methyl-3-pyridinyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 158268918
(8S)-7-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-5-methyl-8-propan-2-yl-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-8-propan-2-yl-5-(trideuteriomethyl)-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-8-propan-2-yl-7-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 158328182
tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (CID 159380164) is (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cc(F)cc(Cl)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cccc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(C3CCC(C)(C)CC3)cn2)n1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
The InChIKey is LKUQPVNBYJPGNJ-SIYVJWKSSA-N. The full InChI is InChI=1S/C24H37N7O.2C23H26F3N7O.C22H25ClFN7O/c1-16(2)20-14-29(6)23(32)31(20)21-9-12-25-22(28-21)27-17(3)19-13-30(15-26-19)18-7-10-24(4,5)11-8-18;1-14(2)19-12-31(4)22(34)33(19)20-9-10-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-16(6-8-17)23(24,25)26;1-14(2)19-12-31(4)22(34)33(19)20-8-9-27-21(30-20)29-15(3)18-11-32(13-28-18)17-7-5-6-16(10-17)23(24,25)26;1-13(2)19-11-29(4)22(32)31(19)20-5-6-25-21(28-20)27-14(3)18-10-30(12-26-18)17-8-15(23)7-16(24)9-17/h9,12-13,15-18,20H,7-8,10-11,14H2,1-6H3,(H,25,27,28);2*5-11,13-15,19H,12H2,1-4H3,(H,27,29,30);5-10,12-14,19H,11H2,1-4H3,(H,25,27,28)/t17-,20+;2*15-,19+;14-,19+/m0000/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 1844.55 g/mol, XLogP of 18.91, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-dimethylcyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 159380164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).