ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate

C14H19N3O2 — CID 42738235

IUPACethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(C(C)C)nc2ccccn12
InChIInChI=1S/C14H19N3O2/c1-4-19-12(18)9-15-14-13(10(2)3)16-11-7-5-6-8-17(11)14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRYEXJULJABJYLS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.43
Rot. Bonds5

About ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate

ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 42738235) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID42738235
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(C(C)C)nc2ccccn12
InChIInChI=1S/C14H19N3O2/c1-4-19-12(18)9-15-14-13(10(2)3)16-11-7-5-6-8-17(11)14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyRYEXJULJABJYLS-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 42738235) is ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate is CCOC(=O)CNc1c(C(C)C)nc2ccccn12.
What is the InChIKey of ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is RYEXJULJABJYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-12(18)9-15-14-13(10(2)3)16-11-7-5-6-8-17(11)14/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 261.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 42738235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).