(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one

C129H126F14N22O18 — CID 159066257

IUPAC(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)n1.CNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)n1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(C(F)(F)F)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C28H25F3N4O4.C28H23F3N4O3.C25H30FN5O4.C25H28FN5O3.C23H20F6N4O4/c29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-21(36)15-22(37)16-24(38)39;29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-22-15-21(36)16-24(37)38-22;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-17(32)13-18(33)14-20(34)35;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-18-13-17(32)14-20(33)34-18;24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-14,21-22,36-37H,15-16H2,(H2,32,33)(H,38,39);1-14,21-22,36H,15-16H2,(H2,32,33);5-12,17-18,32-33H,13-14H2,1-4H3,(H,34,35)(H,27,28,29);5-12,17-18,32H,13-14H2,1-4H3,(H,27,28,29);1-9,15-16,34-35H,10-11H2,(H2,30,31)(H,36,37)/b4*12-10+;7-5+/t2*21-,22-;2*17-,18-;15-,16-/m11111/s1
InChIKeyJZBXPQGLLNIZKQ-ARIILPMUSA-N
MW2538.53 g/mol
LogP22.21
Rot. Bonds36

About (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one

(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one (PubChem CID 159066257) has the molecular formula C129H126F14N22O18 and a molecular weight of 2538.53 g/mol. Its IUPAC name is (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
PubChem CID159066257
Molecular FormulaC129H126F14N22O18
Molecular Weight2538.53 g/mol
Exact Mass2536.94
IUPAC Name(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
SMILESCNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)n1.CNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)n1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(C(F)(F)F)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C28H25F3N4O4.C28H23F3N4O3.C25H30FN5O4.C25H28FN5O3.C23H20F6N4O4/c29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-21(36)15-22(37)16-24(38)39;29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-22-15-21(36)16-24(37)38-22;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-17(32)13-18(33)14-20(34)35;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-18-13-17(32)14-20(33)34-18;24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-14,21-22,36-37H,15-16H2,(H2,32,33)(H,38,39);1-14,21-22,36H,15-16H2,(H2,32,33);5-12,17-18,32-33H,13-14H2,1-4H3,(H,34,35)(H,27,28,29);5-12,17-18,32H,13-14H2,1-4H3,(H,27,28,29);1-9,15-16,34-35H,10-11H2,(H2,30,31)(H,36,37)/b4*12-10+;7-5+/t2*21-,22-;2*17-,18-;15-,16-/m11111/s1
InChIKeyJZBXPQGLLNIZKQ-ARIILPMUSA-N
XLogP22.21
TPSA607.79 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.53
LogP ≤ 522.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Analyze (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one with MolForge

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Related Compounds

(E,3R,5S)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]hept-6-enoic acid;(E,3R,5S)-7-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(4R,6S)-4-methyl-6-[(E)-2-[4-[2-(methylamino)-4-pyridinyl]-5-phenyl-2-propan-2-ylimidazol-1-yl]ethenyl]oxan-2-one
CID 91509033
(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 157093544
(E,3R,5S)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]hept-6-enoic acid;(E,3R,5S)-7-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(4R,6S)-4-hydroxy-6-[(E)-2-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]oxan-2-one
CID 157248099
(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 157457777
(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 157488252
(3R,5R)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]heptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(4R,6R)-4-hydroxy-6-[2-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]oxan-2-one
CID 157566150
(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 157836660
(3R,5R)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]heptanoic acid;(3R,5R)-7-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(4R,6R)-4-hydroxy-6-[2-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]oxan-2-one
CID 158079975
(3R,5R)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]heptanoic acid;(3R,5R)-7-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(4R,6S)-4-methyl-6-[2-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]oxan-2-one
CID 158467036
(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 158956725
(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-2-tert-butyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 159003561
(4R,6R)-6-[2-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(3R,5R)-3,5-dihydroxy-7-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]heptanoic acid;(3R,5R)-7-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-(1-hydroxycyclopropyl)-4-[2-(methylamino)-4-pyridinyl]imidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;(4R,6S)-4-methyl-6-[2-[4-[2-(methylamino)-4-pyridinyl]-2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethyl]oxan-2-one
CID 159470859

Frequently Asked Questions

What is the IUPAC name of (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one (CID 159066257) is (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one is CNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)n1.CNc1nccc(-c2nc(C(C)(C)C)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)n1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(-c3ccccc3)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.Nc1cc(-c2nc(C(F)(F)F)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is JZBXPQGLLNIZKQ-ARIILPMUSA-N. The full InChI is InChI=1S/C28H25F3N4O4.C28H23F3N4O3.C25H30FN5O4.C25H28FN5O3.C23H20F6N4O4/c29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-21(36)15-22(37)16-24(38)39;29-28(30,31)20-8-4-7-19(13-20)26-25(18-9-11-33-23(32)14-18)34-27(17-5-2-1-3-6-17)35(26)12-10-22-15-21(36)16-24(37)38-22;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-17(32)13-18(33)14-20(34)35;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-18-13-17(32)14-20(33)34-18;24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-14,21-22,36-37H,15-16H2,(H2,32,33)(H,38,39);1-14,21-22,36H,15-16H2,(H2,32,33);5-12,17-18,32-33H,13-14H2,1-4H3,(H,34,35)(H,27,28,29);5-12,17-18,32H,13-14H2,1-4H3,(H,27,28,29);1-9,15-16,34-35H,10-11H2,(H2,30,31)(H,36,37)/b4*12-10+;7-5+/t2*21-,22-;2*17-,18-;15-,16-/m11111/s1.
What are the key properties of (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one?
(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 2538.53 g/mol, XLogP of 22.21, 36 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[4-(2-amino-4-pyridinyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;(E,3R,5S)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3R,5S)-7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 159066257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).