N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C28H23Cl3N4O4 — CID 155285346

About N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285346) has the molecular formula C28H23Cl3N4O4 and a molecular weight of 585.88 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285346
• Molecular Formula: C28H23Cl3N4O4
• Molecular Weight: 585.88 g/mol
• Exact Mass: 584.08
• IUPAC Name: N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1Cl
• InChI: InChI=1S/C28H23Cl3N4O4/c1-39-24-10-8-19(14-22(24)31)35-25(26(36)32-15-17-5-3-2-4-6-17)23-16-33(11-12-34(23)28(35)38)27(37)18-7-9-20(29)21(30)13-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,32,36)
• InChIKey: TYUCCFXURBQLGY-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 85.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.88
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285346) is N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)NCc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1Cl.

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

The InChIKey is TYUCCFXURBQLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl3N4O4/c1-39-24-10-8-19(14-22(24)31)35-25(26(36)32-15-17-5-3-2-4-6-17)23-16-33(11-12-34(23)28(35)38)27(37)18-7-9-20(29)21(30)13-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,32,36).

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

N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 585.88 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(3-chloro-4-methoxyphenyl)-7-(3,4-dichlorobenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).