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

C27H22BrClN4O4 — CID 155302623

IUPAC7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)Nc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C27H22BrClN4O4/c1-37-20-10-8-19(9-11-20)33-24(25(34)30-18-5-3-2-4-6-18)23-16-31(13-14-32(23)27(33)36)26(35)17-7-12-21(28)22(29)15-17/h2-12,15H,13-14,16H2,1H3,(H,30,34)
InChIKeyNCPJENHQANRVSV-UHFFFAOYSA-N
MW581.85 g/mol
LogP4.97
Rot. Bonds5

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

7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155302623) has the molecular formula C27H22BrClN4O4 and a molecular weight of 581.85 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155302623
Molecular FormulaC27H22BrClN4O4
Molecular Weight581.85 g/mol
Exact Mass580.05
IUPAC Name7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)Nc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1
InChIInChI=1S/C27H22BrClN4O4/c1-37-20-10-8-19(9-11-20)33-24(25(34)30-18-5-3-2-4-6-18)23-16-31(13-14-32(23)27(33)36)26(35)17-7-12-21(28)22(29)15-17/h2-12,15H,13-14,16H2,1H3,(H,30,34)
InChIKeyNCPJENHQANRVSV-UHFFFAOYSA-N
XLogP4.97
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155302623) is 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)Nc3ccccc3)c3n(c2=O)CCN(C(=O)c2ccc(Br)c(Cl)c2)C3)cc1.
What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is NCPJENHQANRVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrClN4O4/c1-37-20-10-8-19(9-11-20)33-24(25(34)30-18-5-3-2-4-6-18)23-16-31(13-14-32(23)27(33)36)26(35)17-7-12-21(28)22(29)15-17/h2-12,15H,13-14,16H2,1H3,(H,30,34).
What are the key properties of 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 581.85 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-3-chlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155302623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).