(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

C92H103Cl3F3N29O4 — CID 157315670

IUPAC(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
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cc(Cl)cc(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.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1Cl.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)nc1
InChIInChI=1S/C24H26F3N7O.C23H25Cl2N7O.C23H26ClN7O.C22H26N8O/c1-15(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)20-4-7-26-21(28-20)29-23(5-6-23)19-12-31(13-27-19)17-9-15(24)8-16(25)10-17;1-14(2)18-11-26-22(32)31(18)20-6-9-25-21(28-20)29-23(7-8-23)19-12-30(13-27-19)16-5-4-15(3)17(24)10-16;1-14(2)16-11-25-21(31)30(16)19-6-9-23-20(27-19)28-22(7-8-22)17-12-29(13-26-17)18-5-4-15(3)10-24-18/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4,7-10,12-14,18H,5-6,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,32)(H,25,28,29);4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t3*18-;16-/m1111/s1
InChIKeyBDOGFQURELKESW-MZMVYJLQSA-N
MW1842.39 g/mol
LogP16.95
Rot. Bonds24

About (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

(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 (PubChem CID 157315670) has the molecular formula C92H103Cl3F3N29O4 and a molecular weight of 1842.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157315670
Molecular FormulaC92H103Cl3F3N29O4
Molecular Weight1842.39 g/mol
Exact Mass1839.78
IUPAC Name(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
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cc(Cl)cc(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.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1Cl.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)nc1
InChIInChI=1S/C24H26F3N7O.C23H25Cl2N7O.C23H26ClN7O.C22H26N8O/c1-15(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)20-4-7-26-21(28-20)29-23(5-6-23)19-12-31(13-27-19)17-9-15(24)8-16(25)10-17;1-14(2)18-11-26-22(32)31(18)20-6-9-25-21(28-20)29-23(7-8-23)19-12-30(13-27-19)16-5-4-15(3)17(24)10-16;1-14(2)16-11-25-21(31)30(16)19-6-9-23-20(27-19)28-22(7-8-22)17-12-29(13-26-17)18-5-4-15(3)10-24-18/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4,7-10,12-14,18H,5-6,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,32)(H,25,28,29);4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t3*18-;16-/m1111/s1
InChIKeyBDOGFQURELKESW-MZMVYJLQSA-N
XLogP16.95
TPSA347.19 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.39
LogP ≤ 516.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (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 with MolForge

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Related Compounds

(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
(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
6-chloro-2-methoxy-1-pentan-3-ylimidazo[4,5-b]pyridine;6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;5,6-dimethyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-ethenyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 157959708
(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
(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
(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
(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 158898938
(5R)-1-[2-[[1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrrolidin-2-one;(5R)-1-[2-[[1-[1-(3-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrrolidin-2-one;(5R)-1-[2-[[1-[1-(4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-5-propan-2-ylpyrrolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[1-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 158909416

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cc(Cl)cc(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.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)cc1Cl.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)NC[C@@H]5C(C)C)n4)CC3)c2)nc1.
What is the InChIKey of (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?
The InChIKey is BDOGFQURELKESW-MZMVYJLQSA-N. The full InChI is InChI=1S/C24H26F3N7O.C23H25Cl2N7O.C23H26ClN7O.C22H26N8O/c1-15(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)20-4-7-26-21(28-20)29-23(5-6-23)19-12-31(13-27-19)17-9-15(24)8-16(25)10-17;1-14(2)18-11-26-22(32)31(18)20-6-9-25-21(28-20)29-23(7-8-23)19-12-30(13-27-19)16-5-4-15(3)17(24)10-16;1-14(2)16-11-25-21(31)30(16)19-6-9-23-20(27-19)28-22(7-8-22)17-12-29(13-26-17)18-5-4-15(3)10-24-18/h4-7,10-11,13-15,18H,8-9,12H2,1-3H3,(H,28,30,31);4,7-10,12-14,18H,5-6,11H2,1-3H3,(H,26,28,29);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,32)(H,25,28,29);4-6,9-10,12-14,16H,7-8,11H2,1-3H3,(H,25,31)(H,23,27,28)/t3*18-;16-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1842.39 g/mol, XLogP of 16.95, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157315670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).