(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

C95H110ClF4N29O4 — CID 158268918

IUPAC(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
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4ccc(F)c(Cl)c4)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CC(C)c1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cn1
InChIInChI=1S/C26H33N7O.C24H26F3N7O.C23H25ClFN7O.C22H26N8O/c1-17(2)19-7-6-8-20(13-19)32-15-22(28-16-32)26(10-11-26)30-24-27-12-9-23(29-24)33-21(18(3)4)14-31(5)25(33)34;1-15(2)18-12-32(3)22(35)34(18)20-7-10-28-21(30-20)31-23(8-9-23)19-13-33(14-29-19)17-6-4-5-16(11-17)24(25,26)27;1-14(2)18-11-30(3)22(33)32(18)20-6-9-26-21(28-20)29-23(7-8-23)19-12-31(13-27-19)15-4-5-17(25)16(24)10-15;1-14(2)17-11-25-21(31)30(17)19-6-9-23-20(27-19)28-22(7-8-22)18-12-29(13-26-18)16-5-4-15(3)24-10-16/h6-9,12-13,15-18,21H,10-11,14H2,1-5H3,(H,27,29,30);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,17H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t21-;2*18-;17-/m1111/s1
InChIKeyGIUGMIYOQNVDHZ-IXBWUHKZSA-N
MW1833.57 g/mol
LogP16.94
Rot. Bonds25

About (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

(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 (PubChem CID 158268918) has the molecular formula C95H110ClF4N29O4 and a molecular weight of 1833.57 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158268918
Molecular FormulaC95H110ClF4N29O4
Molecular Weight1833.57 g/mol
Exact Mass1831.89
IUPAC Name(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
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4ccc(F)c(Cl)c4)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CC(C)c1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cn1
InChIInChI=1S/C26H33N7O.C24H26F3N7O.C23H25ClFN7O.C22H26N8O/c1-17(2)19-7-6-8-20(13-19)32-15-22(28-16-32)26(10-11-26)30-24-27-12-9-23(29-24)33-21(18(3)4)14-31(5)25(33)34;1-15(2)18-12-32(3)22(35)34(18)20-7-10-28-21(30-20)31-23(8-9-23)19-13-33(14-29-19)17-6-4-5-16(11-17)24(25,26)27;1-14(2)18-11-30(3)22(33)32(18)20-6-9-26-21(28-20)29-23(7-8-23)19-12-31(13-27-19)15-4-5-17(25)16(24)10-15;1-14(2)17-11-25-21(31)30(17)19-6-9-23-20(27-19)28-22(7-8-22)18-12-29(13-26-18)16-5-4-15(3)24-10-16/h6-9,12-13,15-18,21H,10-11,14H2,1-5H3,(H,27,29,30);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,17H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t21-;2*18-;17-/m1111/s1
InChIKeyGIUGMIYOQNVDHZ-IXBWUHKZSA-N
XLogP16.94
TPSA338.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.57
LogP ≤ 516.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (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 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
3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole
CID 158222790
(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
(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
(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]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 158595771
(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-(3-methylphenyl)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 158627606

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4ccc(F)c(Cl)c4)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CC(C)c1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cn1.
What is the InChIKey of (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?
The InChIKey is GIUGMIYOQNVDHZ-IXBWUHKZSA-N. The full InChI is InChI=1S/C26H33N7O.C24H26F3N7O.C23H25ClFN7O.C22H26N8O/c1-17(2)19-7-6-8-20(13-19)32-15-22(28-16-32)26(10-11-26)30-24-27-12-9-23(29-24)33-21(18(3)4)14-31(5)25(33)34;1-15(2)18-12-32(3)22(35)34(18)20-7-10-28-21(30-20)31-23(8-9-23)19-13-33(14-29-19)17-6-4-5-16(11-17)24(25,26)27;1-14(2)18-11-30(3)22(33)32(18)20-6-9-26-21(28-20)29-23(7-8-23)19-12-31(13-27-19)15-4-5-17(25)16(24)10-15;1-14(2)17-11-25-21(31)30(17)19-6-9-23-20(27-19)28-22(7-8-22)18-12-29(13-26-18)16-5-4-15(3)24-10-16/h6-9,12-13,15-18,21H,10-11,14H2,1-5H3,(H,27,29,30);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,17H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t21-;2*18-;17-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1833.57 g/mol, XLogP of 16.94, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158268918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).