(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one

C145H138F5N23O18 — CID 161206014

IUPAC(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
SMILESCC(C)c1nc(-c2ccnc(Nc3ccccc3)n2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncn2)c1-c1ccc(F)cc1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccnc(Nc4ccccc4)n3)c2-c2ccc(F)cc2)O1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccncn3)c2-c2ccc(F)cc2)O1
InChIInChI=1S/C32H30FN5O4.C32H28FN5O3.C29H32FN5O4.C26H25FN4O4.C26H23FN4O3/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42;33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-26-19-25(39)20-28(40)41-26;1-18(2)28-34-26(24-12-14-31-29(33-24)32-21-6-4-3-5-7-21)27(19-8-10-20(30)11-9-19)35(28)15-13-22(36)16-23(37)17-25(38)39;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-20(32)14-21(33)15-23(34)35;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-21-14-20(32)15-23(33)34-21/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36);1-15,17,25-26,39H,16,18-20H2,(H,34,35,36);3-12,14,18,22-23,36-37H,13,15-17H2,1-2H3,(H,38,39)(H,31,32,33);1-10,12,16,20-21,32-33H,11,13-15H2,(H,34,35);1-10,12,16,20-21,32H,11,13-15H2/t2*25-,26-;22-,23-;2*20-,21-/m11111/s1
InChIKeyUVPIIKAFVNRNOL-RZKWPPFRSA-N
MW2585.83 g/mol
LogP24.60
Rot. Bonds48

About (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one

(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one (PubChem CID 161206014) has the molecular formula C145H138F5N23O18 and a molecular weight of 2585.83 g/mol. Its IUPAC name is (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
PubChem CID161206014
Molecular FormulaC145H138F5N23O18
Molecular Weight2585.83 g/mol
Exact Mass2584.05
IUPAC Name(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
SMILESCC(C)c1nc(-c2ccnc(Nc3ccccc3)n2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncn2)c1-c1ccc(F)cc1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccnc(Nc4ccccc4)n3)c2-c2ccc(F)cc2)O1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccncn3)c2-c2ccc(F)cc2)O1
InChIInChI=1S/C32H30FN5O4.C32H28FN5O3.C29H32FN5O4.C26H25FN4O4.C26H23FN4O3/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42;33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-26-19-25(39)20-28(40)41-26;1-18(2)28-34-26(24-12-14-31-29(33-24)32-21-6-4-3-5-7-21)27(19-8-10-20(30)11-9-19)35(28)15-13-22(36)16-23(37)17-25(38)39;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-20(32)14-21(33)15-23(34)35;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-21-14-20(32)15-23(33)34-21/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36);1-15,17,25-26,39H,16,18-20H2,(H,34,35,36);3-12,14,18,22-23,36-37H,13,15-17H2,1-2H3,(H,38,39)(H,31,32,33);1-10,12,16,20-21,32-33H,11,13-15H2,(H,34,35);1-10,12,16,20-21,32H,11,13-15H2/t2*25-,26-;22-,23-;2*20-,21-/m11111/s1
InChIKeyUVPIIKAFVNRNOL-RZKWPPFRSA-N
XLogP24.60
TPSA580.43 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.83
LogP ≤ 524.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6R)-6-[2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 70971242
7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;3,5-dihydroxy-7-[2-(1-hydroxycyclopropyl)-5-phenyl-4-pyridin-4-ylimidazol-1-yl]heptanoic acid
CID 162279331
4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-1-[2-[(2S,4R)-4-methyl-6-oxooxan-2-yl]ethyl]-N-phenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 58792209
calcium (3S,5S)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 161357999
5-(4-fluorophenyl)-1-[2-[(2R,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)
CID 157075928
(4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one
CID 58782211
5-(4-fluorophenyl)-1-[2-[(2R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;(5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dioxoheptanoic acid
CID 160893628
(3S,5R)-7-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 68917829
(4S,6S)-6-[2-[2-(4-fluorophenyl)-4-methyl-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 71025930
(4R,6R)-6-[2-[4-bromo-2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 151790260
(6R)-6-[2-[4-[(Z)-1-anilinoprop-1-enyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-4-hydroxyoxan-2-one
CID 146312470
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-(1-phenylethyl)pyrrole-3-carboxamide
CID 142640579

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one?
The IUPAC name of (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one (CID 161206014) is (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one?
The canonical SMILES for (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one is CC(C)c1nc(-c2ccnc(Nc3ccccc3)n2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1.O=C(O)C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncn2)c1-c1ccc(F)cc1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccnc(Nc4ccccc4)n3)c2-c2ccc(F)cc2)O1.O=C1C[C@H](O)C[C@@H](CCn2c(-c3ccccc3)nc(-c3ccncn3)c2-c2ccc(F)cc2)O1.
What is the InChIKey of (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one?
The InChIKey is UVPIIKAFVNRNOL-RZKWPPFRSA-N. The full InChI is InChI=1S/C32H30FN5O4.C32H28FN5O3.C29H32FN5O4.C26H25FN4O4.C26H23FN4O3/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42;33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-26-19-25(39)20-28(40)41-26;1-18(2)28-34-26(24-12-14-31-29(33-24)32-21-6-4-3-5-7-21)27(19-8-10-20(30)11-9-19)35(28)15-13-22(36)16-23(37)17-25(38)39;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-20(32)14-21(33)15-23(34)35;27-19-8-6-17(7-9-19)25-24(22-10-12-28-16-29-22)30-26(18-4-2-1-3-5-18)31(25)13-11-21-14-20(32)15-23(33)34-21/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36);1-15,17,25-26,39H,16,18-20H2,(H,34,35,36);3-12,14,18,22-23,36-37H,13,15-17H2,1-2H3,(H,38,39)(H,31,32,33);1-10,12,16,20-21,32-33H,11,13-15H2,(H,34,35);1-10,12,16,20-21,32H,11,13-15H2/t2*25-,26-;22-,23-;2*20-,21-/m11111/s1.
What are the key properties of (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one?
(3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one has a molecular weight of 2585.83 g/mol, XLogP of 24.60, 48 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-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;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;(4R,6R)-6-[2-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 161206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).