1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

C32H26BrClN4O3 — CID 155302490

IUPAC1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-n2c(-c3cc(Cc4ccccc4)ccn3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C32H26BrClN4O3/c1-41-25-10-8-24(9-11-25)38-30(28-18-22(13-14-35-28)17-21-5-3-2-4-6-21)29-20-36(15-16-37(29)32(38)40)31(39)23-7-12-26(33)27(34)19-23/h2-14,18-19H,15-17,20H2,1H3
InChIKeyXFFWBUIVWBHKOK-UHFFFAOYSA-N
MW629.94 g/mol
LogP6.37
Rot. Bonds6

About 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one

1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 155302490) has the molecular formula C32H26BrClN4O3 and a molecular weight of 629.94 g/mol. Its IUPAC name is 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID155302490
Molecular FormulaC32H26BrClN4O3
Molecular Weight629.94 g/mol
Exact Mass628.09
IUPAC Name1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(-n2c(-c3cc(Cc4ccccc4)ccn3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C32H26BrClN4O3/c1-41-25-10-8-24(9-11-25)38-30(28-18-22(13-14-35-28)17-21-5-3-2-4-6-21)29-20-36(15-16-37(29)32(38)40)31(39)23-7-12-26(33)27(34)19-23/h2-14,18-19H,15-17,20H2,1H3
InChIKeyXFFWBUIVWBHKOK-UHFFFAOYSA-N
XLogP6.37
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.94
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 167366420
N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414063
1-(5-benzyl-1,3-thiazol-2-yl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 155213299
7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302623
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(2-methoxyethoxy)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155285737
7-(4-bromo-3-chlorobenzoyl)-1-(5-phenyl-1,3-oxazol-2-yl)-2-(4-propan-2-yloxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 155285693
7-(4-bromo-3-chlorobenzoyl)-2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-1-(3-phenylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 158490823
2-benzyl-7-(4-bromo-3-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155213425
4-(4-bromo-3-chlorobenzoyl)-14-[(4-methoxyphenyl)methyl]-4,7,9,14-tetrazatricyclo[7.6.0.02,7]pentadec-1-ene-8,15-dione
CID 155302621
N-benzyl-7-(4-bromo-3-chlorobenzoyl)-2-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 164739280
7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-1-(3-pyridazin-4-ylpropanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
CID 158046655
N-[(1R)-2-amino-2-imino-1-phenylethyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 165414161

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (CID 155302490) is 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is COc1ccc(-n2c(-c3cc(Cc4ccccc4)ccn3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.
What is the InChIKey of 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is XFFWBUIVWBHKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26BrClN4O3/c1-41-25-10-8-24(9-11-25)38-30(28-18-22(13-14-35-28)17-21-5-3-2-4-6-21)29-20-36(15-16-37(29)32(38)40)31(39)23-7-12-26(33)27(34)19-23/h2-14,18-19H,15-17,20H2,1H3.
What are the key properties of 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?
1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 629.94 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 155302490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).