7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C33H27BrClN9O3 — CID 155285620

About 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285620) has the molecular formula C33H27BrClN9O3 and a molecular weight of 713.00 g/mol. Its IUPAC name is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 155285620
• Molecular Formula: C33H27BrClN9O3
• Molecular Weight: 713.00 g/mol
• Exact Mass: 711.11
• IUPAC Name: 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(-n3cccn3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccccc1-n1cncn1
• InChI: InChI=1S/C33H27BrClN9O3/c1-21(25-5-2-3-6-28(25)43-20-36-19-38-43)39-31(45)30-29-18-40(32(46)22-7-12-26(34)27(35)17-22)15-16-41(29)33(47)44(30)24-10-8-23(9-11-24)42-14-4-13-37-42/h2-14,17,19-21H,15-16,18H2,1H3,(H,39,45)/t21-/m1/s1
• InChIKey: UBTXVMUKHVWJNK-OAQYLSRUSA-N
• XLogP: 4.97
• TPSA: 124.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	713.00
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285620) is 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H](NC(=O)c1c2n(c(=O)n1-c1ccc(-n3cccn3)cc1)CCN(C(=O)c1ccc(Br)c(Cl)c1)C2)c1ccccc1-n1cncn1.

What is the InChIKey of 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is UBTXVMUKHVWJNK-OAQYLSRUSA-N. The full InChI is InChI=1S/C33H27BrClN9O3/c1-21(25-5-2-3-6-28(25)43-20-36-19-38-43)39-31(45)30-29-18-40(32(46)22-7-12-26(34)27(35)17-22)15-16-41(29)33(47)44(30)24-10-8-23(9-11-24)42-14-4-13-37-42/h2-14,17,19-21H,15-16,18H2,1H3,(H,39,45)/t21-/m1/s1.

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

7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 713.00 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-3-chlorobenzoyl)-3-oxo-2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).