(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

C93H107F3N28O4 — CID 158627606

IUPAC(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
SMILESCC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CCc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)c1
InChIInChI=1S/C24H29N7O.C23H24F3N7O.2C23H27N7O/c1-4-17-5-7-18(8-6-17)30-14-20(27-15-30)24(10-11-24)29-22-25-12-9-21(28-22)31-19(16(2)3)13-26-23(31)32;1-14(2)17-11-28-21(34)33(17)19-6-9-27-20(30-19)31-22(7-8-22)18-12-32(13-29-18)16-5-3-4-15(10-16)23(24,25)26;1-15(2)18-12-25-22(31)30(18)20-8-11-24-21(27-20)28-23(9-10-23)19-13-29(14-26-19)17-6-4-16(3)5-7-17;1-15(2)18-12-25-22(31)30(18)20-7-10-24-21(27-20)28-23(8-9-23)19-13-29(14-26-19)17-6-4-5-16(3)11-17/h5-9,12,14-16,19H,4,10-11,13H2,1-3H3,(H,26,32)(H,25,28,29);3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,28,34)(H,27,30,31);4-8,11,13-15,18H,9-10,12H2,1-3H3,(H,25,31)(H,24,27,28);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,31)(H,24,27,28)/t19-;17-;2*18-/m1111/s1
InChIKeyHYUANOUPWQUDLL-DUOMNPLVSA-N
MW1738.06 g/mol
LogP15.47
Rot. Bonds25

About (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

(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 (PubChem CID 158627606) has the molecular formula C93H107F3N28O4 and a molecular weight of 1738.06 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158627606
Molecular FormulaC93H107F3N28O4
Molecular Weight1738.06 g/mol
Exact Mass1736.90
IUPAC Name(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
SMILESCC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CCc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)c1
InChIInChI=1S/C24H29N7O.C23H24F3N7O.2C23H27N7O/c1-4-17-5-7-18(8-6-17)30-14-20(27-15-30)24(10-11-24)29-22-25-12-9-21(28-22)31-19(16(2)3)13-26-23(31)32;1-14(2)17-11-28-21(34)33(17)19-6-9-27-20(30-19)31-22(7-8-22)18-12-32(13-29-18)16-5-3-4-15(10-16)23(24,25)26;1-15(2)18-12-25-22(31)30(18)20-8-11-24-21(27-20)28-23(9-10-23)19-13-29(14-26-19)17-6-4-16(3)5-7-17;1-15(2)18-12-25-22(31)30(18)20-7-10-24-21(27-20)28-23(8-9-23)19-13-29(14-26-19)17-6-4-5-16(3)11-17/h5-9,12,14-16,19H,4,10-11,13H2,1-3H3,(H,26,32)(H,25,28,29);3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,28,34)(H,27,30,31);4-8,11,13-15,18H,9-10,12H2,1-3H3,(H,25,31)(H,24,27,28);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,31)(H,24,27,28)/t19-;17-;2*18-/m1111/s1
InChIKeyHYUANOUPWQUDLL-DUOMNPLVSA-N
XLogP15.47
TPSA351.88 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.06
LogP ≤ 515.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-7-[5-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-2-pyridinyl]-9-(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)purin-8-one
CID 143306646
2-(6-fluorobenzimidazol-1-yl)-6-[5-fluoro-1-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazol-2-yl]-9-(1-pyridin-3-ylethyl)-7H-purin-8-one
CID 143306757
(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
N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157363932
(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
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
methane;7-[[4-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[3-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;N-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 157663295
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
1-[(1R,5S)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;tris(5-[1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine);5-[1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;5-[1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine
CID 157766882
5-[4-(5-cyclopropyl-1H-imidazol-2-yl)phenyl]-1-(3H-indol-6-yl)imidazolidin-2-one;1-(3H-indol-6-yl)-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidin-2-one;1-(3H-indol-6-yl)-5-[4-(5-methyl-1H-imidazol-2-yl)phenyl]imidazolidin-2-one;1-(3H-indol-6-yl)-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]imidazolidin-2-one
CID 157848657

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1CNC(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C(F)(F)F)c4)cn3)CC2)n1.CCc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1.Cc1cccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)c1.
What is the InChIKey of (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?
The InChIKey is HYUANOUPWQUDLL-DUOMNPLVSA-N. The full InChI is InChI=1S/C24H29N7O.C23H24F3N7O.2C23H27N7O/c1-4-17-5-7-18(8-6-17)30-14-20(27-15-30)24(10-11-24)29-22-25-12-9-21(28-22)31-19(16(2)3)13-26-23(31)32;1-14(2)17-11-28-21(34)33(17)19-6-9-27-20(30-19)31-22(7-8-22)18-12-32(13-29-18)16-5-3-4-15(10-16)23(24,25)26;1-15(2)18-12-25-22(31)30(18)20-8-11-24-21(27-20)28-23(9-10-23)19-13-29(14-26-19)17-6-4-16(3)5-7-17;1-15(2)18-12-25-22(31)30(18)20-7-10-24-21(27-20)28-23(8-9-23)19-13-29(14-26-19)17-6-4-5-16(3)11-17/h5-9,12,14-16,19H,4,10-11,13H2,1-3H3,(H,26,32)(H,25,28,29);3-6,9-10,12-14,17H,7-8,11H2,1-2H3,(H,28,34)(H,27,30,31);4-8,11,13-15,18H,9-10,12H2,1-3H3,(H,25,31)(H,24,27,28);4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,25,31)(H,24,27,28)/t19-;17-;2*18-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1738.06 g/mol, XLogP of 15.47, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158627606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).