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

C31H30BrClN4O5 — CID 164739280

About 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

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 (PubChem CID 164739280) has the molecular formula C31H30BrClN4O5 and a molecular weight of 653.96 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 164739280
• Molecular Formula: C31H30BrClN4O5
• Molecular Weight: 653.96 g/mol
• Exact Mass: 652.11
• IUPAC Name: 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
• SMILES: CC(C)(O)COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C31H30BrClN4O5/c1-31(2,41)19-42-23-11-9-22(10-12-23)37-27(28(38)34-17-20-6-4-3-5-7-20)26-18-35(14-15-36(26)30(37)40)29(39)21-8-13-24(32)25(33)16-21/h3-13,16,41H,14-15,17-19H2,1-2H3,(H,34,38)
• InChIKey: UDYCDYKCKIZIQK-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 105.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.96
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(O)COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

What is the InChIKey of 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?

The InChIKey is UDYCDYKCKIZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30BrClN4O5/c1-31(2,41)19-42-23-11-9-22(10-12-23)37-27(28(38)34-17-20-6-4-3-5-7-20)26-18-35(14-15-36(26)30(37)40)29(39)21-8-13-24(32)25(33)16-21/h3-13,16,41H,14-15,17-19H2,1-2H3,(H,34,38).

What are the key properties of 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?

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 has a molecular weight of 653.96 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 164739280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).