ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate

C19H16F3N3O6S — CID 90765475

IUPACethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O
InChIInChI=1S/C19H16F3N3O6S/c1-2-31-17(27)15-9-23-8-7-12(15)10-24-11-16(26)25(18(24)28)13-3-5-14(6-4-13)32(29,30)19(20,21)22/h3-9,11,26H,2,10H2,1H3
InChIKeyPIDKIHKUHGFBIM-UHFFFAOYSA-N
MW471.41 g/mol
LogP2.26
Rot. Bonds6

About ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate

ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate (PubChem CID 90765475) has the molecular formula C19H16F3N3O6S and a molecular weight of 471.41 g/mol. Its IUPAC name is ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
PubChem CID90765475
Molecular FormulaC19H16F3N3O6S
Molecular Weight471.41 g/mol
Exact Mass471.07
IUPAC Nameethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O
InChIInChI=1S/C19H16F3N3O6S/c1-2-31-17(27)15-9-23-8-7-12(15)10-24-11-16(26)25(18(24)28)13-3-5-14(6-4-13)32(29,30)19(20,21)22/h3-9,11,26H,2,10H2,1H3
InChIKeyPIDKIHKUHGFBIM-UHFFFAOYSA-N
XLogP2.26
TPSA120.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[(3-tert-butyl-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91360287
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
4-hydroxy-1-[(3-pyrazol-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90997025
4-hydroxy-1-[(5-methylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91188108
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154
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-hydroxy-1-[(2-pyridin-2-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91079111
tert-butyl 4-[[5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-3-carboxylate
CID 141097685
4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
1-benzyl-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90922879
4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90970691

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate (CID 90765475) is ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate is CCOC(=O)c1cnccc1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O.
What is the InChIKey of ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate?
The InChIKey is PIDKIHKUHGFBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O6S/c1-2-31-17(27)15-9-23-8-7-12(15)10-24-11-16(26)25(18(24)28)13-3-5-14(6-4-13)32(29,30)19(20,21)22/h3-9,11,26H,2,10H2,1H3.
What are the key properties of ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate?
ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate has a molecular weight of 471.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 90765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).