(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

C126H138F14N20O18 — CID 159470859

About (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

(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 (PubChem CID 159470859) has the molecular formula C126H138F14N20O18 and a molecular weight of 2486.58 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159470859
• Molecular Formula: C126H138F14N20O18
• Molecular Weight: 2486.58 g/mol
• Exact Mass: 2485.03
• IUPAC Name: (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
• SMILES: CNc1cc(-c2nc(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C(C)C)n(CC[C@@H]3C[C@@H](C)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(CC[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)ccn1.Nc1cc(-c2nc(C(F)(F)F)n(CC[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1
• InChI: InChI=1S/C27H31F3N4O2.C26H31F3N4O4.C25H29FN4O5.C25H27FN4O4.C23H20F6N4O3/c1-16(2)26-33-24(18-8-10-32-22(15-18)31-4)25(19-6-5-7-20(14-19)27(28,29)30)34(26)11-9-21-12-17(3)13-23(35)36-21;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)10-8-19(34)13-20(35)14-22(36)37;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;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)7-5-16-10-15(34)11-18(35)36-16/h5-8,10,14-17,21H,9,11-13H2,1-4H3,(H,31,32);4-7,9,11-12,15,19-20,34-35H,8,10,13-14H2,1-3H3,(H,30,31)(H,36,37);2-6,10,12,18-19,31-32,35H,7-9,11,13-14H2,1H3,(H,27,28)(H,33,34);2-6,10,12,18-19,31,33H,7-9,11,13-14H2,1H3,(H,27,28);1-4,6,8-9,15-16,34H,5,7,10-11H2,(H2,30,31)/t17-,21-;19-,20-;2*18-,19-;15-,16-/m11111/s1
• InChIKey: LVUABUWOWSTNQH-ZIKHPHIVSA-N
• XLogP: 21.97
• TPSA: 543.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2486.58
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CNc1cc(-c2nc(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C(C)C)n(CC[C@@H]3C[C@@H](C)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2ccc(F)cc2)ccn1.CNc1cc(-c2nc(C3(O)CC3)n(CC[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2ccc(F)cc2)ccn1.Nc1cc(-c2nc(C(F)(F)F)n(CC[C@@H]3C[C@@H](O)CC(=O)O3)c2-c2cccc(C(F)(F)F)c2)ccn1.

What is the InChIKey of (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?

The InChIKey is LVUABUWOWSTNQH-ZIKHPHIVSA-N. The full InChI is InChI=1S/C27H31F3N4O2.C26H31F3N4O4.C25H29FN4O5.C25H27FN4O4.C23H20F6N4O3/c1-16(2)26-33-24(18-8-10-32-22(15-18)31-4)25(19-6-5-7-20(14-19)27(28,29)30)34(26)11-9-21-12-17(3)13-23(35)36-21;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)10-8-19(34)13-20(35)14-22(36)37;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;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)7-5-16-10-15(34)11-18(35)36-16/h5-8,10,14-17,21H,9,11-13H2,1-4H3,(H,31,32);4-7,9,11-12,15,19-20,34-35H,8,10,13-14H2,1-3H3,(H,30,31)(H,36,37);2-6,10,12,18-19,31-32,35H,7-9,11,13-14H2,1H3,(H,27,28)(H,33,34);2-6,10,12,18-19,31,33H,7-9,11,13-14H2,1H3,(H,27,28);1-4,6,8-9,15-16,34H,5,7,10-11H2,(H2,30,31)/t17-,21-;19-,20-;2*18-,19-;15-,16-/m11111/s1.

What are the key properties of (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?

(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 has a molecular weight of 2486.58 g/mol, XLogP of 21.97, 41 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159470859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).