ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate

C18H15F3N2O2 — CID 66650186

IUPACethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C18H15F3N2O2/c1-3-25-17(24)15-9-22-16-11(2)8-13(10-23(15)16)12-4-6-14(7-5-12)18(19,20)21/h4-10H,3H2,1-2H3
InChIKeyBWTWIORDAJZEKL-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.51
Rot. Bonds3

About ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 66650186) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID66650186
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Nameethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C18H15F3N2O2/c1-3-25-17(24)15-9-22-16-11(2)8-13(10-23(15)16)12-4-6-14(7-5-12)18(19,20)21/h4-10H,3H2,1-2H3
InChIKeyBWTWIORDAJZEKL-UHFFFAOYSA-N
XLogP4.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 66650186) is ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is BWTWIORDAJZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-3-25-17(24)15-9-22-16-11(2)8-13(10-23(15)16)12-4-6-14(7-5-12)18(19,20)21/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 348.32 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 66650186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).