tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate

C21H20F3N3O5 — CID 91041066

IUPACtert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C21H20F3N3O5/c1-20(2,3)32-18(29)16-10-13(8-9-25-16)11-26-12-17(28)27(19(26)30)14-4-6-15(7-5-14)31-21(22,23)24/h4-10,12,28H,11H2,1-3H3
InChIKeySCPMMNGMGCRVIK-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.64
Rot. Bonds5

About tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate

tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 91041066) has the molecular formula C21H20F3N3O5 and a molecular weight of 451.40 g/mol. Its IUPAC name is tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
PubChem CID91041066
Molecular FormulaC21H20F3N3O5
Molecular Weight451.40 g/mol
Exact Mass451.14
IUPAC Nametert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1
InChIInChI=1S/C21H20F3N3O5/c1-20(2,3)32-18(29)16-10-13(8-9-25-16)11-26-12-17(28)27(19(26)30)14-4-6-15(7-5-14)31-21(22,23)24/h4-10,12,28H,11H2,1-3H3
InChIKeySCPMMNGMGCRVIK-UHFFFAOYSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-[[2-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91252167
ethyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91613069
[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl] benzoate
CID 91393119
tert-butyl 4-[[2,4-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboxylate
CID 68763904
phenyl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 90897394
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91310662
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91536112
N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]acetamide
CID 90879070
propan-2-yl N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
CID 91385526
1-[[3-(4-chlorophenyl)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91243385
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
4-hydroxy-1-[(2-pyridin-2-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91079111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate (CID 91041066) is tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1cc(Cn2cc(O)n(-c3ccc(OC(F)(F)F)cc3)c2=O)ccn1.
What is the InChIKey of tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is SCPMMNGMGCRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5/c1-20(2,3)32-18(29)16-10-13(8-9-25-16)11-26-12-17(28)27(19(26)30)14-4-6-15(7-5-14)31-21(22,23)24/h4-10,12,28H,11H2,1-3H3.
What are the key properties of tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate?
tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 451.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 91041066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).