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

C32H28BrClN4O3S — CID 155213299

About 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

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 (PubChem CID 155213299) has the molecular formula C32H28BrClN4O3S and a molecular weight of 664.03 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155213299
• Molecular Formula: C32H28BrClN4O3S
• Molecular Weight: 664.03 g/mol
• Exact Mass: 662.08
• IUPAC Name: 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
• SMILES: CC(C)Oc1ccc(-n2c(-c3ncc(Cc4ccccc4)s3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C32H28BrClN4O3S/c1-20(2)41-24-11-9-23(10-12-24)38-29(30-35-18-25(42-30)16-21-6-4-3-5-7-21)28-19-36(14-15-37(28)32(38)40)31(39)22-8-13-26(33)27(34)17-22/h3-13,17-18,20H,14-16,19H2,1-2H3
• InChIKey: XTDBGQUBMQZMFU-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 69.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.03
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)Oc1ccc(-n2c(-c3ncc(Cc4ccccc4)s3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

What is the InChIKey of 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?

The InChIKey is XTDBGQUBMQZMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BrClN4O3S/c1-20(2)41-24-11-9-23(10-12-24)38-29(30-35-18-25(42-30)16-21-6-4-3-5-7-21)28-19-36(14-15-37(28)32(38)40)31(39)22-8-13-26(33)27(34)17-22/h3-13,17-18,20H,14-16,19H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 664.03 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155213299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).