5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one

C14H13BrN4O — CID 152562561

IUPAC5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one
SMILESCn1cc2ccc(Nc3nc(Br)cn(C)c3=O)cc2c1
InChIInChI=1S/C14H13BrN4O/c1-18-6-9-3-4-11(5-10(9)7-18)16-13-14(20)19(2)8-12(15)17-13/h3-8H,1-2H3,(H,16,17)
InChIKeyYPUODQVWMPLIIG-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one

5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one (PubChem CID 152562561) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one
PubChem CID152562561
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one
SMILESCn1cc2ccc(Nc3nc(Br)cn(C)c3=O)cc2c1
InChIInChI=1S/C14H13BrN4O/c1-18-6-9-3-4-11(5-10(9)7-18)16-13-14(20)19(2)8-12(15)17-13/h3-8H,1-2H3,(H,16,17)
InChIKeyYPUODQVWMPLIIG-UHFFFAOYSA-N
XLogP2.78
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3240897
N-(3,4-Dimethylphenyl)-2-{2-oxo-3-phenyl-1H,2H,3H-imidazo[4,5-B]pyridin-1-YL}acetamide
CID 71841514
N-[5-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)indol-4-yl]methyl]-3-oxopyrazin-2-yl]propanamide
CID 68302953
1-(5-Aminoisoindol-2-yl)-2,2,2-trifluoroethanone
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1-(5-amino-2H-isoindol-2-yl)ethan-1-one
CID 168376961
N-(3,4-dimethylphenyl)-2-(5-fluoroindol-1-yl)acetamide
CID 84361059
N-(3,4-dimethylphenyl)-2-(1H-pyrrol-1-yl)propanamide
CID 15943305
2-Isoindol-2-ylacetamide
CID 57474101
2-[4-[(Z)-N'-hydroxycarbamimidoyl]indol-1-yl]acetamide
CID 59214417
Tert-butyl 5-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]isoindole-2-carboxylate
CID 67016262
5-[(6-Bromo-4-methyl-3-oxopyrazin-2-yl)amino]isoindole-2-carboxylic acid
CID 67016287
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide
CID 68707729

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one (CID 152562561) is 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one is Cn1cc2ccc(Nc3nc(Br)cn(C)c3=O)cc2c1.
What is the InChIKey of 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one?
The InChIKey is YPUODQVWMPLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-18-6-9-3-4-11(5-10(9)7-18)16-13-14(20)19(2)8-12(15)17-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one?
5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one has a molecular weight of 333.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[(2-methylisoindol-5-yl)amino]pyrazin-2-one is sourced from PubChem (CID 152562561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).