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

C68H58Br2N16O8 — CID 165025163

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

(6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 165025163) has the molecular formula C68H58Br2N16O8 and a molecular weight of 1387.12 g/mol. Its IUPAC name is (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 165025163
• Molecular Formula: C68H58Br2N16O8
• Molecular Weight: 1387.12 g/mol
• Exact Mass: 1384.30
• IUPAC Name: (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc5oc(N)nc5c4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc5oc(N)nc5c4)c(=O)n3C[C@H]2C)ccc1Br
• InChI: InChI=1S/2C34H29BrN8O4/c2*1-19-13-21(7-9-25(19)35)32(45)41-17-28-30(31(44)38-15-22-5-3-4-6-24(22)26-11-12-37-18-39-26)43(34(46)42(28)16-20(41)2)23-8-10-29-27(14-23)40-33(36)47-29/h2*3-14,18,20H,15-17H2,1-2H3,(H2,36,40)(H,38,44)/t2*20-/m10/s1
• InChIKey: LTSJPEGTIJUVQI-ZCLATKBISA-N
• XLogP: 9.73
• TPSA: 308.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1387.12
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 165025163) is (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc5oc(N)nc5c4)c(=O)n3C[C@@H]2C)ccc1Br.Cc1cc(C(=O)N2Cc3c(C(=O)NCc4ccccc4-c4ccncn4)n(-c4ccc5oc(N)nc5c4)c(=O)n3C[C@H]2C)ccc1Br.

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

The InChIKey is LTSJPEGTIJUVQI-ZCLATKBISA-N. The full InChI is InChI=1S/2C34H29BrN8O4/c2*1-19-13-21(7-9-25(19)35)32(45)41-17-28-30(31(44)38-15-22-5-3-4-6-24(22)26-11-12-37-18-39-26)43(34(46)42(28)16-20(41)2)23-8-10-29-27(14-23)40-33(36)47-29/h2*3-14,18,20H,15-17H2,1-2H3,(H2,36,40)(H,38,44)/t2*20-/m10/s1.

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

(6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 1387.12 g/mol, XLogP of 9.73, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;(6R)-2-(2-amino-1,3-benzoxazol-5-yl)-7-(4-bromo-3-methylbenzoyl)-6-methyl-3-oxo-N-[(2-pyrimidin-4-ylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 165025163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).