7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

C23H21N3O2 — CID 53118102

IUPAC7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc5c(c4)CCC5)c(=O)c3n2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-20-10-7-17(8-11-20)21-15-25-12-13-26(23(27)22(25)24-21)19-9-6-16-4-3-5-18(16)14-19/h6-15H,2-5H2,1H3
InChIKeyIVOQTDTZOMGUNC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.04
Rot. Bonds4

About 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118102) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118102
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc5c(c4)CCC5)c(=O)c3n2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-28-20-10-7-17(8-11-20)21-15-25-12-13-26(23(27)22(25)24-21)19-9-6-16-4-3-5-18(16)14-19/h6-15H,2-5H2,1H3
InChIKeyIVOQTDTZOMGUNC-UHFFFAOYSA-N
XLogP4.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118102) is 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is CCOc1ccc(-c2cn3ccn(-c4ccc5c(c4)CCC5)c(=O)c3n2)cc1.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is IVOQTDTZOMGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-20-10-7-17(8-11-20)21-15-25-12-13-26(23(27)22(25)24-21)19-9-6-16-4-3-5-18(16)14-19/h6-15H,2-5H2,1H3.
What are the key properties of 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 371.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).