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

C31H26BrClN4O4 — CID 155285693

About 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

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 (PubChem CID 155285693) has the molecular formula C31H26BrClN4O4 and a molecular weight of 633.93 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155285693
• Molecular Formula: C31H26BrClN4O4
• Molecular Weight: 633.93 g/mol
• Exact Mass: 632.08
• IUPAC Name: 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
• SMILES: CC(C)Oc1ccc(-n2c(-c3ncc(-c4ccccc4)o3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C31H26BrClN4O4/c1-19(2)40-23-11-9-22(10-12-23)37-28(29-34-17-27(41-29)20-6-4-3-5-7-20)26-18-35(14-15-36(26)31(37)39)30(38)21-8-13-24(32)25(33)16-21/h3-13,16-17,19H,14-15,18H2,1-2H3
• InChIKey: VKTOIIDKXDZKSY-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 82.50 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.93
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)Oc1ccc(-n2c(-c3ncc(-c4ccccc4)o3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

What is the InChIKey of 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?

The InChIKey is VKTOIIDKXDZKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrClN4O4/c1-19(2)40-23-11-9-22(10-12-23)37-28(29-34-17-27(41-29)20-6-4-3-5-7-20)26-18-35(14-15-36(26)31(37)39)30(38)21-8-13-24(32)25(33)16-21/h3-13,16-17,19H,14-15,18H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 633.93 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155285693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).