2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C19H23N3O4 — CID 118740894

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)C2C
InChIInChI=1S/C19H23N3O4/c1-3-24-12-14-11-20-18-13(2)21(7-8-22(14)18)19(23)15-5-4-6-16-17(15)26-10-9-25-16/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyVJTDQBSOICGBSG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.41
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 118740894) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID118740894
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCCOCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)C2C
InChIInChI=1S/C19H23N3O4/c1-3-24-12-14-11-20-18-13(2)21(7-8-22(14)18)19(23)15-5-4-6-16-17(15)26-10-9-25-16/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyVJTDQBSOICGBSG-UHFFFAOYSA-N
XLogP2.41
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 118740894) is 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is CCOCc1cnc2n1CCN(C(=O)c1cccc3c1OCCO3)C2C.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is VJTDQBSOICGBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-24-12-14-11-20-18-13(2)21(7-8-22(14)18)19(23)15-5-4-6-16-17(15)26-10-9-25-16/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 118740894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).