ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate

C18H19N3O2 — CID 13259032

IUPACethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccc(C)cn2)nc2ccc(C)cn12
InChIInChI=1S/C18H19N3O2/c1-4-23-17(22)9-15-18(14-7-5-12(2)10-19-14)20-16-8-6-13(3)11-21(15)16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyNXOMLXXCUZEELS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.12
Rot. Bonds4

About ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate

ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate (PubChem CID 13259032) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate
PubChem CID13259032
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccc(C)cn2)nc2ccc(C)cn12
InChIInChI=1S/C18H19N3O2/c1-4-23-17(22)9-15-18(14-7-5-12(2)10-19-14)20-16-8-6-13(3)11-21(15)16/h5-8,10-11H,4,9H2,1-3H3
InChIKeyNXOMLXXCUZEELS-UHFFFAOYSA-N
XLogP3.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate (CID 13259032) is ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate is CCOC(=O)Cc1c(-c2ccc(C)cn2)nc2ccc(C)cn12.
What is the InChIKey of ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The InChIKey is NXOMLXXCUZEELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-17(22)9-15-18(14-7-5-12(2)10-19-14)20-16-8-6-13(3)11-21(15)16/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate?
ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate has a molecular weight of 309.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-methyl-2-(5-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate is sourced from PubChem (CID 13259032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).