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

C30H23BrClN5O4 — CID 155285312

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

N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285312) has the molecular formula C30H23BrClN5O4 and a molecular weight of 632.90 g/mol. Its IUPAC name is N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285312
• Molecular Formula: C30H23BrClN5O4
• Molecular Weight: 632.90 g/mol
• Exact Mass: 631.06
• IUPAC Name: N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cn1ccc2cc(-n3c(C(=O)NC(=O)c4ccccc4)c4n(c3=O)CCN(C(=O)c3ccc(Br)c(Cl)c3)C4)ccc21
• InChI: InChI=1S/C30H23BrClN5O4/c1-34-12-11-19-15-21(8-10-24(19)34)37-26(28(39)33-27(38)18-5-3-2-4-6-18)25-17-35(13-14-36(25)30(37)41)29(40)20-7-9-22(31)23(32)16-20/h2-12,15-16H,13-14,17H2,1H3,(H,33,38,39)
• InChIKey: VSZCIJAKSCFUKD-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 98.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.90
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285312) is N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cn1ccc2cc(-n3c(C(=O)NC(=O)c4ccccc4)c4n(c3=O)CCN(C(=O)c3ccc(Br)c(Cl)c3)C4)ccc21.

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

The InChIKey is VSZCIJAKSCFUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrClN5O4/c1-34-12-11-19-15-21(8-10-24(19)34)37-26(28(39)33-27(38)18-5-3-2-4-6-18)25-17-35(13-14-36(25)30(37)41)29(40)20-7-9-22(31)23(32)16-20/h2-12,15-16H,13-14,17H2,1H3,(H,33,38,39).

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

N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 632.90 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzoyl-7-(4-bromo-3-chlorobenzoyl)-2-(1-methylindol-5-yl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).