3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C20H18BrN3O2 — CID 69363384

IUPAC3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCOc1ccc(CN2Cc3c(-c4ccccc4)nc(Br)n3CC2=O)cc1
InChIInChI=1S/C20H18BrN3O2/c1-26-16-9-7-14(8-10-16)11-23-12-17-19(15-5-3-2-4-6-15)22-20(21)24(17)13-18(23)25/h2-10H,11-13H2,1H3
InChIKeyVAZYQCJRAIOBCP-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.86
Rot. Bonds4

About 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 69363384) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID69363384
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCOc1ccc(CN2Cc3c(-c4ccccc4)nc(Br)n3CC2=O)cc1
InChIInChI=1S/C20H18BrN3O2/c1-26-16-9-7-14(8-10-16)11-23-12-17-19(15-5-3-2-4-6-15)22-20(21)24(17)13-18(23)25/h2-10H,11-13H2,1H3
InChIKeyVAZYQCJRAIOBCP-UHFFFAOYSA-N
XLogP3.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810342
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
3-(4-isocyanophenyl)-7-[(4-methoxyphenyl)methyl]-5,8-dihydroimidazo[1,2-a]pyrazin-6-one
CID 177088600
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
(3R)-1-[(4-methoxyphenyl)methyl]-2-oxo-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 39868619
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
CID 71514150
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26352505

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 69363384) is 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is COc1ccc(CN2Cc3c(-c4ccccc4)nc(Br)n3CC2=O)cc1.
What is the InChIKey of 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is VAZYQCJRAIOBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c1-26-16-9-7-14(8-10-16)11-23-12-17-19(15-5-3-2-4-6-15)22-20(21)24(17)13-18(23)25/h2-10H,11-13H2,1H3.
What are the key properties of 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 412.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-[(4-methoxyphenyl)methyl]-1-phenyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 69363384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).