2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C16H20N4O3 — CID 118743851

IUPAC2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C16H20N4O3/c1-12-16-18-8-13(10-23-14-4-3-5-17-9-14)20(16)7-6-19(12)15(21)11-22-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyNSSARIGGICJURZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.41
Rot. Bonds5

About 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 118743851) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID118743851
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCOCC(=O)N1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C16H20N4O3/c1-12-16-18-8-13(10-23-14-4-3-5-17-9-14)20(16)7-6-19(12)15(21)11-22-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyNSSARIGGICJURZ-UHFFFAOYSA-N
XLogP1.41
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 118743851) is 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is COCC(=O)N1CCn2c(COc3cccnc3)cnc2C1C.
What is the InChIKey of 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is NSSARIGGICJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12-16-18-8-13(10-23-14-4-3-5-17-9-14)20(16)7-6-19(12)15(21)11-22-2/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 316.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 118743851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).