(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

C102H108F8N16O16 — CID 157248099

About (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

(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 (PubChem CID 157248099) has the molecular formula C102H108F8N16O16 and a molecular weight of 1966.07 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 157248099
• Molecular Formula: C102H108F8N16O16
• Molecular Weight: 1966.07 g/mol
• Exact Mass: 1964.80
• IUPAC Name: (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
• SMILES: CNc1cc(-c2nc(C(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C(C)C)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C26H29F3N4O4.C26H27F3N4O3.C25H27FN4O5.C25H25FN4O4/c1-15(2)25-32-23(16-7-9-31-21(12-16)30-3)24(17-5-4-6-18(11-17)26(27,28)29)33(25)10-8-19(34)13-20(35)14-22(36)37;1-15(2)25-32-23(16-7-9-31-21(12-16)30-3)24(17-5-4-6-18(11-17)26(27,28)29)33(25)10-8-20-13-19(34)14-22(35)36-20;1-27-20-12-16(6-10-28-20)22-23(15-2-4-17(26)5-3-15)30(24(29-22)25(35)8-9-25)11-7-18(31)13-19(32)14-21(33)34;1-27-20-12-16(6-10-28-20)22-23(15-2-4-17(26)5-3-15)30(24(29-22)25(33)8-9-25)11-7-19-13-18(31)14-21(32)34-19/h4-12,15,19-20,34-35H,13-14H2,1-3H3,(H,30,31)(H,36,37);4-12,15,19-20,34H,13-14H2,1-3H3,(H,30,31);2-7,10-12,18-19,31-32,35H,8-9,13-14H2,1H3,(H,27,28)(H,33,34);2-7,10-12,18-19,31,33H,8-9,13-14H2,1H3,(H,27,28)/b2*10-8+;2*11-7+/t2*19-,20-;2*18-,19-/m1111/s1
• InChIKey: AWAFVWKMLRACTB-NAFJTLRHSA-N
• XLogP: 16.33
• TPSA: 460.00 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.07
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CNc1cc(-c2nc(C(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C(C)C)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)ccn1.

What is the InChIKey of (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?

The InChIKey is AWAFVWKMLRACTB-NAFJTLRHSA-N. The full InChI is InChI=1S/C26H29F3N4O4.C26H27F3N4O3.C25H27FN4O5.C25H25FN4O4/c1-15(2)25-32-23(16-7-9-31-21(12-16)30-3)24(17-5-4-6-18(11-17)26(27,28)29)33(25)10-8-19(34)13-20(35)14-22(36)37;1-15(2)25-32-23(16-7-9-31-21(12-16)30-3)24(17-5-4-6-18(11-17)26(27,28)29)33(25)10-8-20-13-19(34)14-22(35)36-20;1-27-20-12-16(6-10-28-20)22-23(15-2-4-17(26)5-3-15)30(24(29-22)25(35)8-9-25)11-7-18(31)13-19(32)14-21(33)34;1-27-20-12-16(6-10-28-20)22-23(15-2-4-17(26)5-3-15)30(24(29-22)25(33)8-9-25)11-7-19-13-18(31)14-21(32)34-19/h4-12,15,19-20,34-35H,13-14H2,1-3H3,(H,30,31)(H,36,37);4-12,15,19-20,34H,13-14H2,1-3H3,(H,30,31);2-7,10-12,18-19,31-32,35H,8-9,13-14H2,1H3,(H,27,28)(H,33,34);2-7,10-12,18-19,31,33H,8-9,13-14H2,1H3,(H,27,28)/b2*10-8+;2*11-7+/t2*19-,20-;2*18-,19-/m1111/s1.

What are the key properties of (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?

(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 has a molecular weight of 1966.07 g/mol, XLogP of 16.33, 32 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 157248099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).