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

C33H27BrClN5O4 — CID 165414063

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

N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165414063) has the molecular formula C33H27BrClN5O4 and a molecular weight of 672.97 g/mol. Its IUPAC name is N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165414063
• Molecular Formula: C33H27BrClN5O4
• Molecular Weight: 672.97 g/mol
• Exact Mass: 671.09
• IUPAC Name: N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ccc(-n2c(C(=O)Nc3ncccc3Cc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
• InChI: InChI=1S/C33H27BrClN5O4/c1-44-25-12-10-24(11-13-25)40-29(31(41)37-30-22(8-5-15-36-30)18-21-6-3-2-4-7-21)28-20-38(16-17-39(28)33(40)43)32(42)23-9-14-26(34)27(35)19-23/h2-15,19H,16-18,20H2,1H3,(H,36,37,41)
• InChIKey: YNUZAUKJJNVXQI-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.97
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165414063) is N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)Nc3ncccc3Cc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.

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

The InChIKey is YNUZAUKJJNVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrClN5O4/c1-44-25-12-10-24(11-13-25)40-29(31(41)37-30-22(8-5-15-36-30)18-21-6-3-2-4-7-21)28-20-38(16-17-39(28)33(40)43)32(42)23-9-14-26(34)27(35)19-23/h2-15,19H,16-18,20H2,1H3,(H,36,37,41).

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

N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 672.97 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-benzyl-2-pyridinyl)-7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165414063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).