4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one

C27H27N3O3 — CID 122627229

IUPAC4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one
SMILESCc1c(CCN2CCn3cc(-c4ccc5c(c4)CCCC5=O)nc3C2)ccc2c1COC2=O
InChIInChI=1S/C27H27N3O3/c1-17-18(5-8-22-23(17)16-33-27(22)32)9-10-29-11-12-30-14-24(28-26(30)15-29)20-6-7-21-19(13-20)3-2-4-25(21)31/h5-8,13-14H,2-4,9-12,15-16H2,1H3
InChIKeySUXYQPMMZCWVFJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.11
Rot. Bonds4

About 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one

4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 122627229) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one
PubChem CID122627229
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one
SMILESCc1c(CCN2CCn3cc(-c4ccc5c(c4)CCCC5=O)nc3C2)ccc2c1COC2=O
InChIInChI=1S/C27H27N3O3/c1-17-18(5-8-22-23(17)16-33-27(22)32)9-10-29-11-12-30-14-24(28-26(30)15-29)20-6-7-21-19(13-20)3-2-4-25(21)31/h5-8,13-14H,2-4,9-12,15-16H2,1H3
InChIKeySUXYQPMMZCWVFJ-UHFFFAOYSA-N
XLogP4.11
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one?
The IUPAC name of 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one (CID 122627229) is 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one is Cc1c(CCN2CCn3cc(-c4ccc5c(c4)CCCC5=O)nc3C2)ccc2c1COC2=O.
What is the InChIKey of 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one?
The InChIKey is SUXYQPMMZCWVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-17-18(5-8-22-23(17)16-33-27(22)32)9-10-29-11-12-30-14-24(28-26(30)15-29)20-6-7-21-19(13-20)3-2-4-25(21)31/h5-8,13-14H,2-4,9-12,15-16H2,1H3.
What are the key properties of 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one?
4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 441.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[2-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 122627229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).