3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

C24H23F4N3O3 — CID 57411214

IUPAC3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)c(F)c1
InChIInChI=1S/C24H23F4N3O3/c1-13-8-19(34-12-22(2,3)21(32)33)29-10-16(13)14-4-5-15(17(25)9-14)20-30-11-18(31-20)23(6-7-23)24(26,27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyUIZNGTSSIZKGRD-UHFFFAOYSA-N
MW477.46 g/mol
LogP5.67
Rot. Bonds7

About 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 57411214) has the molecular formula C24H23F4N3O3 and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
PubChem CID57411214
Molecular FormulaC24H23F4N3O3
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC Name3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)c(F)c1
InChIInChI=1S/C24H23F4N3O3/c1-13-8-19(34-12-22(2,3)21(32)33)29-10-16(13)14-4-5-15(17(25)9-14)20-30-11-18(31-20)23(6-7-23)24(26,27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyUIZNGTSSIZKGRD-UHFFFAOYSA-N
XLogP5.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 57411214) is 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)c(F)c1.
What is the InChIKey of 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The InChIKey is UIZNGTSSIZKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O3/c1-13-8-19(34-12-22(2,3)21(32)33)29-10-16(13)14-4-5-15(17(25)9-14)20-30-11-18(31-20)23(6-7-23)24(26,27)28/h4-5,8-11H,6-7,12H2,1-3H3,(H,30,31)(H,32,33).
What are the key properties of 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 477.46 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-fluoro-4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 57411214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).