ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate

C16H22N4O2 — CID 139991632

IUPACethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1CN(c2cccc3nc(C)cn23)CCN1
InChIInChI=1S/C16H22N4O2/c1-3-22-16(21)9-13-11-19(8-7-17-13)15-6-4-5-14-18-12(2)10-20(14)15/h4-6,10,13,17H,3,7-9,11H2,1-2H3
InChIKeyNZWJXWUZYLYDML-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.37
Rot. Bonds4

About ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate

ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate (PubChem CID 139991632) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate
PubChem CID139991632
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nameethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate
SMILESCCOC(=O)CC1CN(c2cccc3nc(C)cn23)CCN1
InChIInChI=1S/C16H22N4O2/c1-3-22-16(21)9-13-11-19(8-7-17-13)15-6-4-5-14-18-12(2)10-20(14)15/h4-6,10,13,17H,3,7-9,11H2,1-2H3
InChIKeyNZWJXWUZYLYDML-UHFFFAOYSA-N
XLogP1.37
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate (CID 139991632) is ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate is CCOC(=O)CC1CN(c2cccc3nc(C)cn23)CCN1.
What is the InChIKey of ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate?
The InChIKey is NZWJXWUZYLYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-22-16(21)9-13-11-19(8-7-17-13)15-6-4-5-14-18-12(2)10-20(14)15/h4-6,10,13,17H,3,7-9,11H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate?
ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate has a molecular weight of 302.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-2-yl]acetate is sourced from PubChem (CID 139991632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).