7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H18BrN3O2 — CID 79091276

IUPAC7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(Br)cc1CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H18BrN3O2/c1-20-13-3-2-11(15)6-10(13)8-17-4-5-18-12(9-17)7-16-14(18)19/h2-3,6,12H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyPUTJVJUPKZCTJB-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.67
Rot. Bonds3

About 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091276) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091276
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(Br)cc1CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C14H18BrN3O2/c1-20-13-3-2-11(15)6-10(13)8-17-4-5-18-12(9-17)7-16-14(18)19/h2-3,6,12H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyPUTJVJUPKZCTJB-UHFFFAOYSA-N
XLogP1.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863802
2-[(5-bromo-2-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78950366
2-methoxy-5-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzonitrile
CID 79096075
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 64833007
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
7-[(4-bromothiophen-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091597
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
methyl 2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)methyl]benzoate
CID 82958535
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091276) is 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is COc1ccc(Br)cc1CN1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is PUTJVJUPKZCTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-20-13-3-2-11(15)6-10(13)8-17-4-5-18-12(9-17)7-16-14(18)19/h2-3,6,12H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 340.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-bromo-2-methoxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).