2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C27H20BrClN6O4 — CID 155285476

About 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285476) has the molecular formula C27H20BrClN6O4 and a molecular weight of 607.85 g/mol. Its IUPAC name is 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285476
• Molecular Formula: C27H20BrClN6O4
• Molecular Weight: 607.85 g/mol
• Exact Mass: 606.04
• IUPAC Name: 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1ccc3nonc3c1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2
• InChI: InChI=1S/C27H20BrClN6O4/c28-19-8-6-17(12-20(19)29)26(37)33-10-11-34-23(15-33)24(25(36)30-14-16-4-2-1-3-5-16)35(27(34)38)18-7-9-21-22(13-18)32-39-31-21/h1-9,12-13H,10-11,14-15H2,(H,30,36)
• InChIKey: VNRQRZBKLFAEMW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 115.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.85
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285476) is 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is O=C(NCc1ccccc1)c1c2n(c(=O)n1-c1ccc3nonc3c1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2.

What is the InChIKey of 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is VNRQRZBKLFAEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BrClN6O4/c28-19-8-6-17(12-20(19)29)26(37)33-10-11-34-23(15-33)24(25(36)30-14-16-4-2-1-3-5-16)35(27(34)38)18-7-9-21-22(13-18)32-39-31-21/h1-9,12-13H,10-11,14-15H2,(H,30,36).

What are the key properties of 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 607.85 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,1,3-benzoxadiazol-5-yl)-N-benzyl-7-(4-bromo-3-chlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).