(6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C34H28BrN7O4 — CID 165070602

About (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

(6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165070602) has the molecular formula C34H28BrN7O4 and a molecular weight of 678.55 g/mol. Its IUPAC name is (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165070602
• Molecular Formula: C34H28BrN7O4
• Molecular Weight: 678.55 g/mol
• Exact Mass: 677.14
• IUPAC Name: (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc5oncc5c4)c(=O)n3C[C@H]2C)ccc1Br
• InChI: InChI=1S/C34H28BrN7O4/c1-20-14-22(8-10-27(20)35)33(44)40-19-28-30(32(43)38-16-23-6-3-4-7-26(23)31-36-12-5-13-37-31)42(34(45)41(28)18-21(40)2)25-9-11-29-24(15-25)17-39-46-29/h3-15,17,21H,16,18-19H2,1-2H3,(H,38,43)/t21-/m1/s1
• InChIKey: SROAKIKKHAWWRI-OAQYLSRUSA-N
• XLogP: 5.28
• TPSA: 128.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.55
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165070602) is (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ncccn4)n(-c4ccc5oncc5c4)c(=O)n3C[C@H]2C)ccc1Br.

What is the InChIKey of (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is SROAKIKKHAWWRI-OAQYLSRUSA-N. The full InChI is InChI=1S/C34H28BrN7O4/c1-20-14-22(8-10-27(20)35)33(44)40-19-28-30(32(43)38-16-23-6-3-4-7-26(23)31-36-12-5-13-37-31)42(34(45)41(28)18-21(40)2)25-9-11-29-24(15-25)17-39-46-29/h3-15,17,21H,16,18-19H2,1-2H3,(H,38,43)/t21-/m1/s1.

What are the key properties of (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?

(6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 678.55 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(1,2-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-2-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165070602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).