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

C32H26BrClN4O3 — CID 167366420

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

1-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 167366420) has the molecular formula C32H26BrClN4O3 and a molecular weight of 629.94 g/mol. Its IUPAC name is 1-(3-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 Name: 1-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
• PubChem CID: 167366420
• Molecular Formula: C32H26BrClN4O3
• Molecular Weight: 629.94 g/mol
• Exact Mass: 628.09
• IUPAC Name: 1-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one
• SMILES: COc1ccc(-n2c(-c3ncccc3Cc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C32H26BrClN4O3/c1-41-25-12-10-24(11-13-25)38-30(29-22(8-5-15-35-29)18-21-6-3-2-4-7-21)28-20-36(16-17-37(28)32(38)40)31(39)23-9-14-26(33)27(34)19-23/h2-15,19H,16-18,20H2,1H3
• InChIKey: KZEYJPAVVSSYBQ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 69.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.94
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-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-(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) is 1-(3-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-(3-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-(3-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(-c3ncccc3Cc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

What is the InChIKey of 1-(3-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 KZEYJPAVVSSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26BrClN4O3/c1-41-25-12-10-24(11-13-25)38-30(29-22(8-5-15-35-29)18-21-6-3-2-4-7-21)28-20-36(16-17-37(28)32(38)40)31(39)23-9-14-26(33)27(34)19-23/h2-15,19H,16-18,20H2,1H3.

What are the key properties of 1-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-one?

1-(3-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-(3-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 167366420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).