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

C20H20F3N5O3 — CID 67975276

IUPACmethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-11-5-16(31-10-19(2,3)18(29)30-4)26-6-12(11)13-7-25-14(8-24-13)17-27-9-15(28-17)20(21,22)23/h5-9H,10H2,1-4H3,(H,27,28)
InChIKeyXXFOICMOOLDLNE-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.83
Rot. Bonds6

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

methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate (PubChem CID 67975276) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
PubChem CID67975276
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Namemethyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-11-5-16(31-10-19(2,3)18(29)30-4)26-6-12(11)13-7-25-14(8-24-13)17-27-9-15(28-17)20(21,22)23/h5-9H,10H2,1-4H3,(H,27,28)
InChIKeyXXFOICMOOLDLNE-UHFFFAOYSA-N
XLogP3.83
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate 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 methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate (CID 67975276) is methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate is COC(=O)C(C)(C)COc1cc(C)c(-c2cnc(-c3ncc(C(F)(F)F)[nH]3)cn2)cn1.
What is the InChIKey of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
The InChIKey is XXFOICMOOLDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11-5-16(31-10-19(2,3)18(29)30-4)26-6-12(11)13-7-25-14(8-24-13)17-27-9-15(28-17)20(21,22)23/h5-9H,10H2,1-4H3,(H,27,28).
What are the key properties of methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate?
methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate has a molecular weight of 435.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazin-2-yl]-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 67975276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).