2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid

C12H16N2O3 — CID 96594753

IUPAC2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid
SMILESCCc1cc(=O)n2c(c1CC(=O)O)N(C)CC2
InChIInChI=1S/C12H16N2O3/c1-3-8-6-10(15)14-5-4-13(2)12(14)9(8)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyGAWGIQQPVQNITF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.49
Rot. Bonds3

About 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid

2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid (PubChem CID 96594753) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid
PubChem CID96594753
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid
SMILESCCc1cc(=O)n2c(c1CC(=O)O)N(C)CC2
InChIInChI=1S/C12H16N2O3/c1-3-8-6-10(15)14-5-4-13(2)12(14)9(8)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyGAWGIQQPVQNITF-UHFFFAOYSA-N
XLogP0.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid (CID 96594753) is 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid is CCc1cc(=O)n2c(c1CC(=O)O)N(C)CC2.
What is the InChIKey of 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid?
The InChIKey is GAWGIQQPVQNITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-8-6-10(15)14-5-4-13(2)12(14)9(8)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid?
2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-8-yl)acetic acid is sourced from PubChem (CID 96594753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).