ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate

C12H16F3N3O2 — CID 83966524

IUPACethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O2/c1-2-20-10(19)4-8-6-18-5-7(12(13,14)15)3-9(16)11(18)17-8/h6-7,9H,2-5,16H2,1H3
InChIKeyVSFXLRSHKDBSSN-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate

ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 83966524) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID83966524
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nameethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2
InChIInChI=1S/C12H16F3N3O2/c1-2-20-10(19)4-8-6-18-5-7(12(13,14)15)3-9(16)11(18)17-8/h6-7,9H,2-5,16H2,1H3
InChIKeyVSFXLRSHKDBSSN-UHFFFAOYSA-N
XLogP1.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate with MolForge

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Related Compounds

2-(8-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)acetic acid hydrochloride
CID 132371662
methyl 2-{5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-3-yl}acetate
CID 137217184
Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
CID 163390352
2-{8-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetic acid
CID 83830726
Ethyl 2-(8-amino-6-fluoro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
CID 83966144
2-(8-Amino-6-fluoro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 83966154
Methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
CID 83966525
2-[8-Amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 83966528
2-[6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 84103167
2-(6-Fluoro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 84103168
Ethyl 5-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136710004
Ethyl 7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136710061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate (CID 83966524) is ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate is CCOC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2.
What is the InChIKey of ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is VSFXLRSHKDBSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-2-20-10(19)4-8-6-18-5-7(12(13,14)15)3-9(16)11(18)17-8/h6-7,9H,2-5,16H2,1H3.
What are the key properties of ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 291.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 83966524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).