2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one

C20H15N3O4 — CID 53118153

IUPAC2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccccc1-n1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1=O
InChIInChI=1S/C20H15N3O4/c1-25-16-5-3-2-4-15(16)23-9-8-22-11-14(21-19(22)20(23)24)13-6-7-17-18(10-13)27-12-26-17/h2-11H,12H2,1H3
InChIKeyGBCVXLKGWOTUQL-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.89
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one

2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118153) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118153
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccccc1-n1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1=O
InChIInChI=1S/C20H15N3O4/c1-25-16-5-3-2-4-15(16)23-9-8-22-11-14(21-19(22)20(23)24)13-6-7-17-18(10-13)27-12-26-17/h2-11H,12H2,1H3
InChIKeyGBCVXLKGWOTUQL-UHFFFAOYSA-N
XLogP2.89
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118153) is 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one is COc1ccccc1-n1ccn2cc(-c3ccc4c(c3)OCO4)nc2c1=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is GBCVXLKGWOTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-25-16-5-3-2-4-15(16)23-9-8-22-11-14(21-19(22)20(23)24)13-6-7-17-18(10-13)27-12-26-17/h2-11H,12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 361.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).