5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one

C16H14N4O2 — CID 163306584

IUPAC5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one
SMILESCOc1nccn2c(-c3ccc4c(c3)CN(C)C4=O)cnc12
InChIInChI=1S/C16H14N4O2/c1-19-9-11-7-10(3-4-12(11)16(19)21)13-8-18-14-15(22-2)17-5-6-20(13)14/h3-8H,9H2,1-2H3
InChIKeyITRRPSAMBLPYJL-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds2

About 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one

5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 163306584) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one
PubChem CID163306584
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one
SMILESCOc1nccn2c(-c3ccc4c(c3)CN(C)C4=O)cnc12
InChIInChI=1S/C16H14N4O2/c1-19-9-11-7-10(3-4-12(11)16(19)21)13-8-18-14-15(22-2)17-5-6-20(13)14/h3-8H,9H2,1-2H3
InChIKeyITRRPSAMBLPYJL-UHFFFAOYSA-N
XLogP1.99
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one (CID 163306584) is 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one is COc1nccn2c(-c3ccc4c(c3)CN(C)C4=O)cnc12.
What is the InChIKey of 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is ITRRPSAMBLPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-19-9-11-7-10(3-4-12(11)16(19)21)13-8-18-14-15(22-2)17-5-6-20(13)14/h3-8H,9H2,1-2H3.
What are the key properties of 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one?
5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 294.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 163306584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).