(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate

C27H26N3O4- — CID 58782225

IUPAC(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate
SMILESO=C([O-])C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C27H27N3O4/c31-22(17-23(32)18-24(33)34)13-16-30-26(20-7-3-1-4-8-20)25(19-11-14-28-15-12-19)29-27(30)21-9-5-2-6-10-21/h1-12,14-15,22-23,31-32H,13,16-18H2,(H,33,34)/p-1/t22-,23-/m1/s1
InChIKeyXBDBQEXALJGZJF-DHIUTWEWSA-M
MW456.52 g/mol
LogP2.92
Rot. Bonds10

About (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate

(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate (PubChem CID 58782225) has the molecular formula C27H26N3O4- and a molecular weight of 456.52 g/mol. Its IUPAC name is (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate.

Molecular Properties

Compound Name(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate
PubChem CID58782225
Molecular FormulaC27H26N3O4-
Molecular Weight456.52 g/mol
Exact Mass456.19
IUPAC Name(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate
SMILESO=C([O-])C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C27H27N3O4/c31-22(17-23(32)18-24(33)34)13-16-30-26(20-7-3-1-4-8-20)25(19-11-14-28-15-12-19)29-27(30)21-9-5-2-6-10-21/h1-12,14-15,22-23,31-32H,13,16-18H2,(H,33,34)/p-1/t22-,23-/m1/s1
InChIKeyXBDBQEXALJGZJF-DHIUTWEWSA-M
XLogP2.92
TPSA111.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

calcium;tert-butyl (3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate;(3R,5R)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 158449258
calcium (3S,5S)-7-[5-(4-fluorophenyl)-2-phenyl-4-pyrimidin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 161357999
7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 58782260
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 44629670
sodium (3R,5R)-7-[2-(4-fluorophenyl)-5-propan-2-yl-4-(2-pyridin-4-ylethylcarbamoyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 142684773
sodium (3R,5R)-7-[5-ethyl-2-(4-fluorophenyl)-4-(2-phenylethylcarbamoyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 58773198
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
sodium (3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 46783619
calcium bis((3R,5R)-7-[3-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-yl(2,3-13C2)pyrrol-1-yl]-3,5-dihydroxyheptanoate)
CID 10582141
azanium 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 73059202
magnesium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate
CID 24849182

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate?
The IUPAC name of (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate (CID 58782225) is (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate.
What is the SMILES notation for (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate?
The canonical SMILES for (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate is O=C([O-])C[C@H](O)C[C@H](O)CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate?
The InChIKey is XBDBQEXALJGZJF-DHIUTWEWSA-M. The full InChI is InChI=1S/C27H27N3O4/c31-22(17-23(32)18-24(33)34)13-16-30-26(20-7-3-1-4-8-20)25(19-11-14-28-15-12-19)29-27(30)21-9-5-2-6-10-21/h1-12,14-15,22-23,31-32H,13,16-18H2,(H,33,34)/p-1/t22-,23-/m1/s1.
What are the key properties of (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate?
(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate has a molecular weight of 456.52 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate is sourced from PubChem (CID 58782225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).