(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one

C95H122Cl2F2N28O5 — CID 158312562

IUPAC(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(C4CCC(F)(F)CC4)cn3)CC2)n1.CC1CCC(n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)CC1.COc1cc(Cl)cc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)cc1Cl
InChIInChI=1S/C24H28ClN7O2.C24H28ClN7O.C24H35N7O.C23H31F2N7O/c1-15(2)19-12-30(3)23(33)32(19)21-5-8-26-22(28-21)29-24(6-7-24)20-13-31(14-27-20)17-9-16(25)10-18(11-17)34-4;1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17;1-16(2)19-13-29(4)23(32)31(19)21-9-12-25-22(27-21)28-24(10-11-24)20-14-30(15-26-20)18-7-5-17(3)6-8-18;1-15(2)17-12-30(3)21(33)32(17)19-6-11-26-20(28-19)29-22(9-10-22)18-13-31(14-27-18)16-4-7-23(24,25)8-5-16/h5,8-11,13-15,19H,6-7,12H2,1-4H3,(H,26,28,29);5-7,10-11,13-15,19H,8-9,12H2,1-4H3,(H,26,28,29);9,12,14-19H,5-8,10-11,13H2,1-4H3,(H,25,27,28);6,11,13-17H,4-5,7-10,12H2,1-3H3,(H,26,28,29)/t2*19-;17?,18?,19-;17-/m1111/s1
InChIKeyGNVWYGXRJOMEBE-NDPCZJHBSA-N
MW1845.11 g/mol
LogP17.79
Rot. Bonds25

About (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one

(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 158312562) has the molecular formula C95H122Cl2F2N28O5 and a molecular weight of 1845.11 g/mol. Its IUPAC name is (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
PubChem CID158312562
Molecular FormulaC95H122Cl2F2N28O5
Molecular Weight1845.11 g/mol
Exact Mass1842.95
IUPAC Name(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(C4CCC(F)(F)CC4)cn3)CC2)n1.CC1CCC(n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)CC1.COc1cc(Cl)cc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)cc1Cl
InChIInChI=1S/C24H28ClN7O2.C24H28ClN7O.C24H35N7O.C23H31F2N7O/c1-15(2)19-12-30(3)23(33)32(19)21-5-8-26-22(28-21)29-24(6-7-24)20-13-31(14-27-20)17-9-16(25)10-18(11-17)34-4;1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17;1-16(2)19-13-29(4)23(32)31(19)21-9-12-25-22(27-21)28-24(10-11-24)20-14-30(15-26-20)18-7-5-17(3)6-8-18;1-15(2)17-12-30(3)21(33)32(17)19-6-11-26-20(28-19)29-22(9-10-22)18-13-31(14-27-18)16-4-7-23(24,25)8-5-16/h5,8-11,13-15,19H,6-7,12H2,1-4H3,(H,26,28,29);5-7,10-11,13-15,19H,8-9,12H2,1-4H3,(H,26,28,29);9,12,14-19H,5-8,10-11,13H2,1-4H3,(H,25,27,28);6,11,13-17H,4-5,7-10,12H2,1-3H3,(H,26,28,29)/t2*19-;17?,18?,19-;17-/m1111/s1
InChIKeyGNVWYGXRJOMEBE-NDPCZJHBSA-N
XLogP17.79
TPSA325.95 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.11
LogP ≤ 517.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one with MolForge

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Related Compounds

2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 161512276
(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
CID 161526178
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-imidazo[1,2-a]pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 161784435
CID 163495631
CID 163495631
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-imidazo[1,2-a]pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 163982706
(4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-(4-propan-2-ylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 157899968
(4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
CID 158746724
6-amino-7-(4-chlorophenyl)-9-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]purin-8-one;(E)-N-[4-[6-amino-7-(4-chlorophenyl)-8-oxopurin-9-yl]cyclohexyl]-N-methylpent-2-enamide;(E)-N-[5-[6-amino-7-(4-chlorophenyl)-8-oxopurin-9-yl]-2-pyridinyl]-N-methylpent-2-enamide;6-amino-9-[1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]-7-(3-methoxy-4-methylphenyl)purin-8-one
CID 159667647
(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
CID 161733424

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one (CID 158312562) is (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(C4CCC(F)(F)CC4)cn3)CC2)n1.CC1CCC(n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)CC1.COc1cc(Cl)cc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)c1.Cc1ccc(-n2cnc(C3(Nc4nccc(N5C(=O)N(C)C[C@@H]5C(C)C)n4)CC3)c2)cc1Cl.
What is the InChIKey of (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is GNVWYGXRJOMEBE-NDPCZJHBSA-N. The full InChI is InChI=1S/C24H28ClN7O2.C24H28ClN7O.C24H35N7O.C23H31F2N7O/c1-15(2)19-12-30(3)23(33)32(19)21-5-8-26-22(28-21)29-24(6-7-24)20-13-31(14-27-20)17-9-16(25)10-18(11-17)34-4;1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17;1-16(2)19-13-29(4)23(32)31(19)21-9-12-25-22(27-21)28-24(10-11-24)20-14-30(15-26-20)18-7-5-17(3)6-8-18;1-15(2)17-12-30(3)21(33)32(17)19-6-11-26-20(28-19)29-22(9-10-22)18-13-31(14-27-18)16-4-7-23(24,25)8-5-16/h5,8-11,13-15,19H,6-7,12H2,1-4H3,(H,26,28,29);5-7,10-11,13-15,19H,8-9,12H2,1-4H3,(H,26,28,29);9,12,14-19H,5-8,10-11,13H2,1-4H3,(H,25,27,28);6,11,13-17H,4-5,7-10,12H2,1-3H3,(H,26,28,29)/t2*19-;17?,18?,19-;17-/m1111/s1.
What are the key properties of (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?
(4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 1845.11 g/mol, XLogP of 17.79, 25 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[1-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[1-[1-(4-methylcyclohexyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 158312562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).