1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone

C16H21N3O2S — CID 118739130

IUPAC1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCCOCc1cnc2n1CCN(C(=O)Cc1cccs1)C2C
InChIInChI=1S/C16H21N3O2S/c1-3-21-11-13-10-17-16-12(2)18(6-7-19(13)16)15(20)9-14-5-4-8-22-14/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3
InChIKeyQKRLUXUOPZDXOI-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone

1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (PubChem CID 118739130) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
PubChem CID118739130
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCCOCc1cnc2n1CCN(C(=O)Cc1cccs1)C2C
InChIInChI=1S/C16H21N3O2S/c1-3-21-11-13-10-17-16-12(2)18(6-7-19(13)16)15(20)9-14-5-4-8-22-14/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3
InChIKeyQKRLUXUOPZDXOI-UHFFFAOYSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (CID 118739130) is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is CCOCc1cnc2n1CCN(C(=O)Cc1cccs1)C2C.
What is the InChIKey of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is QKRLUXUOPZDXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-21-11-13-10-17-16-12(2)18(6-7-19(13)16)15(20)9-14-5-4-8-22-14/h4-5,8,10,12H,3,6-7,9,11H2,1-2H3.
What are the key properties of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 319.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118739130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).