2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid

C21H21F3N4O3 — CID 122548117

IUPAC2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
SMILESCc1cc(OCC(C)(C)C(=O)O)ncc1-c1cc(C)c(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C21H21F3N4O3/c1-11-5-15(25-8-14(11)18-27-9-16(28-18)21(22,23)24)13-7-26-17(6-12(13)2)31-10-20(3,4)19(29)30/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyGVYOPRWSYMRWEX-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.66
Rot. Bonds6

About 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid

2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid (PubChem CID 122548117) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
PubChem CID122548117
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
SMILESCc1cc(OCC(C)(C)C(=O)O)ncc1-c1cc(C)c(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C21H21F3N4O3/c1-11-5-15(25-8-14(11)18-27-9-16(28-18)21(22,23)24)13-7-26-17(6-12(13)2)31-10-20(3,4)19(29)30/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyGVYOPRWSYMRWEX-UHFFFAOYSA-N
XLogP4.66
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid (CID 122548117) is 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid is Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cc(C)c(-c2ncc(C(F)(F)F)[nH]2)cn1.
What is the InChIKey of 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid?
The InChIKey is GVYOPRWSYMRWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-11-5-15(25-8-14(11)18-27-9-16(28-18)21(22,23)24)13-7-26-17(6-12(13)2)31-10-20(3,4)19(29)30/h5-9H,10H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid?
2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid has a molecular weight of 434.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 122548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).