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

C11H14F3N3O2 — CID 83966525

IUPACmethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2
InChIInChI=1S/C11H14F3N3O2/c1-19-9(18)3-7-5-17-4-6(11(12,13)14)2-8(15)10(17)16-7/h5-6,8H,2-4,15H2,1H3
InChIKeyDLBIJBPQOBTGCJ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.18
Rot. Bonds2

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

methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 83966525) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID83966525
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2
InChIInChI=1S/C11H14F3N3O2/c1-19-9(18)3-7-5-17-4-6(11(12,13)14)2-8(15)10(17)16-7/h5-6,8H,2-4,15H2,1H3
InChIKeyDLBIJBPQOBTGCJ-UHFFFAOYSA-N
XLogP1.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate (CID 83966525) is methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate is COC(=O)Cc1cn2c(n1)C(N)CC(C(F)(F)F)C2.
What is the InChIKey of methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is DLBIJBPQOBTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-19-9(18)3-7-5-17-4-6(11(12,13)14)2-8(15)10(17)16-7/h5-6,8H,2-4,15H2,1H3.
What are the key properties of methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate?
methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 277.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 83966525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).