ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol

C22H24F3N3O6 — CID 159011762

IUPACethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
SMILESCCOC(=O)c1cnc(-c2cc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc2OC)[nH]1.CO
InChIInChI=1S/C21H20F3N3O5.CH4O/c1-5-31-20(28)15-10-25-18(26-15)14-8-11(2)17(27-19(14)30-4)13-7-6-12(9-16(13)29-3)32-21(22,23)24;1-2/h6-10H,5H2,1-4H3,(H,25,26);2H,1H3
InChIKeyJSORMNSNHRZBRP-UHFFFAOYSA-N
MW483.44 g/mol
LogP4.15
Rot. Bonds7

About ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol

ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol (PubChem CID 159011762) has the molecular formula C22H24F3N3O6 and a molecular weight of 483.44 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
PubChem CID159011762
Molecular FormulaC22H24F3N3O6
Molecular Weight483.44 g/mol
Exact Mass483.16
IUPAC Nameethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol
SMILESCCOC(=O)c1cnc(-c2cc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc2OC)[nH]1.CO
InChIInChI=1S/C21H20F3N3O5.CH4O/c1-5-31-20(28)15-10-25-18(26-15)14-8-11(2)17(27-19(14)30-4)13-7-6-12(9-16(13)29-3)32-21(22,23)24;1-2/h6-10H,5H2,1-4H3,(H,25,26);2H,1H3
InChIKeyJSORMNSNHRZBRP-UHFFFAOYSA-N
XLogP4.15
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol with MolForge

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Launch Full Analysis

Related Compounds

3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]propan-1-amine
CID 69228001
3-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]imidazole-4-carboxylic acid
CID 22490071
ethyl 2-(3,5-dimethyl-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 156748397
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3,6-trimethylpyrrolo[3,2-b]pyridine
CID 143015150
ethyl 2-(4-bromo-2-fluorophenyl)-1H-imidazole-5-carboxylate
CID 85472879
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
[(2S)-2-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butyl] methanesulfonate
CID 58703077
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol?
The IUPAC name of ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol (CID 159011762) is ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol.
What is the SMILES notation for ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol?
The canonical SMILES for ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol is CCOC(=O)c1cnc(-c2cc(C)c(-c3ccc(OC(F)(F)F)cc3OC)nc2OC)[nH]1.CO.
What is the InChIKey of ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol?
The InChIKey is JSORMNSNHRZBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5.CH4O/c1-5-31-20(28)15-10-25-18(26-15)14-8-11(2)17(27-19(14)30-4)13-7-6-12(9-16(13)29-3)32-21(22,23)24;1-2/h6-10H,5H2,1-4H3,(H,25,26);2H,1H3.
What are the key properties of ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol?
ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol has a molecular weight of 483.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]-1H-imidazole-5-carboxylate;methanol is sourced from PubChem (CID 159011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).