7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid

C25H30FN3O4 — CID 58782260

IUPAC7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C25H30FN3O4/c1-25(2,3)24-28-22(16-8-11-27-12-9-16)23(17-4-6-18(26)7-5-17)29(24)13-10-19(30)14-20(31)15-21(32)33/h4-9,11-12,19-20,30-31H,10,13-15H2,1-3H3,(H,32,33)
InChIKeyFAYRAANWFJOBNL-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.03
Rot. Bonds9

About 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid

7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 58782260) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
PubChem CID58782260
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChIInChI=1S/C25H30FN3O4/c1-25(2,3)24-28-22(16-8-11-27-12-9-16)23(17-4-6-18(26)7-5-17)29(24)13-10-19(30)14-20(31)15-21(32)33/h4-9,11-12,19-20,30-31H,10,13-15H2,1-3H3,(H,32,33)
InChIKeyFAYRAANWFJOBNL-UHFFFAOYSA-N
XLogP4.03
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-7-[4-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)imidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 14975548
(E)-7-[2-tert-butyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;ethane
CID 143450704
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
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-propan-2-yl-3-pyridin-4-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 11170778
(3R,5R)-7-(2,5-diphenyl-4-pyridin-4-ylimidazol-1-yl)-3,5-dihydroxyheptanoate
CID 58782225
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
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 71019865
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 73218575
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-4-(pyridin-2-ylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 10007950
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 67095791
(3R,5R)-7-[4-(anilinomethyl)-2-(4-fluorophenyl)-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 59961985

Frequently Asked Questions

What is the IUPAC name of 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid (CID 58782260) is 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid is CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O.
What is the InChIKey of 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is FAYRAANWFJOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-25(2,3)24-28-22(16-8-11-27-12-9-16)23(17-4-6-18(26)7-5-17)29(24)13-10-19(30)14-20(31)15-21(32)33/h4-9,11-12,19-20,30-31H,10,13-15H2,1-3H3,(H,32,33).
What are the key properties of 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 455.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 58782260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).