3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate

C10H7F3N3O2- — CID 154283331

IUPAC3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCc1c(C(F)(F)F)nc2cnc(C(=O)[O-])cn12
InChIInChI=1S/C10H8F3N3O2/c1-2-6-8(10(11,12)13)15-7-3-14-5(9(17)18)4-16(6)7/h3-4H,2H2,1H3,(H,17,18)/p-1
InChIKeyMREYEXPHCDVZJL-UHFFFAOYSA-M
MW258.18 g/mol
LogP0.67
Rot. Bonds2

About 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate

3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 154283331) has the molecular formula C10H7F3N3O2- and a molecular weight of 258.18 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID154283331
Molecular FormulaC10H7F3N3O2-
Molecular Weight258.18 g/mol
Exact Mass258.05
IUPAC Name3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
SMILESCCc1c(C(F)(F)F)nc2cnc(C(=O)[O-])cn12
InChIInChI=1S/C10H8F3N3O2/c1-2-6-8(10(11,12)13)15-7-3-14-5(9(17)18)4-16(6)7/h3-4H,2H2,1H3,(H,17,18)/p-1
InChIKeyMREYEXPHCDVZJL-UHFFFAOYSA-M
XLogP0.67
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-3-ethyl-7-(trifluoromethylsulfonyl)imidazo[1,2-a]pyridine
CID 176738940
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
N,6-dimethyl-N-propyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471424
5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 53406049
[3-bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-[3-ethyl-6-(trifluoromethyl)imidazo[1,2-a]pyrimidin-2-yl]methanone
CID 142623557
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
3-ethyl-2-(trifluoromethyl)benzoate
CID 53405985
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
6-amino-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 118879739
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
N-(4-ethyl-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157578
N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71598223

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate (CID 154283331) is 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate is CCc1c(C(F)(F)F)nc2cnc(C(=O)[O-])cn12.
What is the InChIKey of 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is MREYEXPHCDVZJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8F3N3O2/c1-2-6-8(10(11,12)13)15-7-3-14-5(9(17)18)4-16(6)7/h3-4H,2H2,1H3,(H,17,18)/p-1.
What are the key properties of 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate?
3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 258.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 154283331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).