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

C12H19N3O2 — CID 83966576

IUPACethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)C(C)CC(N)C2
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)5-10-7-15-6-9(13)4-8(2)12(15)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyNXDGODOFHDPXRM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds3

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

ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 83966576) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID83966576
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)C(C)CC(N)C2
InChIInChI=1S/C12H19N3O2/c1-3-17-11(16)5-10-7-15-6-9(13)4-8(2)12(15)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyNXDGODOFHDPXRM-UHFFFAOYSA-N
XLogP0.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate (CID 83966576) is ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate is CCOC(=O)Cc1cn2c(n1)C(C)CC(N)C2.
What is the InChIKey of ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is NXDGODOFHDPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-11(16)5-10-7-15-6-9(13)4-8(2)12(15)14-10/h7-9H,3-6,13H2,1-2H3.
What are the key properties of ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate?
ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 237.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 83966576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).