2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C18H21N3O4 — CID 97421857

About 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97421857) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• PubChem CID: 97421857
• Molecular Formula: C18H21N3O4
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.15
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
• SMILES: COCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C
• InChI: InChI=1S/C18H21N3O4/c1-12-18-19-9-14(10-23-2)21(18)6-5-20(12)17(22)8-13-3-4-15-16(7-13)25-11-24-15/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3/t12-/m1/s1
• InChIKey: MXKKXBSHKYDIIV-GFCCVEGCSA-N
• XLogP: 1.90
• TPSA: 65.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97421857) is 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is COCc1cnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H]2C.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

The InChIKey is MXKKXBSHKYDIIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-18-19-9-14(10-23-2)21(18)6-5-20(12)17(22)8-13-3-4-15-16(7-13)25-11-24-15/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3/t12-/m1/s1.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?

2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 343.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-1-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97421857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).