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

C36H32BrClN6O4 — CID 164739271

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

(6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164739271) has the molecular formula C36H32BrClN6O4 and a molecular weight of 728.05 g/mol. Its IUPAC name is (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164739271
• Molecular Formula: C36H32BrClN6O4
• Molecular Weight: 728.05 g/mol
• Exact Mass: 726.14
• IUPAC Name: (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3cccc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C36H32BrClN6O4/c1-21-19-43-31(20-42(21)35(46)22-9-16-28(37)29(38)17-22)33(44(36(43)47)24-10-12-25(13-11-24)48-26-14-15-26)34(45)40-18-23-5-2-3-6-27(23)30-7-4-8-32(39)41-30/h2-13,16-17,21,26H,14-15,18-20H2,1H3,(H2,39,41)(H,40,45)/t21-/m1/s1
• InChIKey: XCAXRTPMAROAFR-OAQYLSRUSA-N
• XLogP: 6.21
• TPSA: 124.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.05
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 164739271) is (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

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

The canonical SMILES for (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H]1Cn2c(c(C(=O)NCc3ccccc3-c3cccc(N)n3)n(-c3ccc(OC4CC4)cc3)c2=O)CN1C(=O)c1ccc(Br)c(Cl)c1.

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

The InChIKey is XCAXRTPMAROAFR-OAQYLSRUSA-N. The full InChI is InChI=1S/C36H32BrClN6O4/c1-21-19-43-31(20-42(21)35(46)22-9-16-28(37)29(38)17-22)33(44(36(43)47)24-10-12-25(13-11-24)48-26-14-15-26)34(45)40-18-23-5-2-3-6-27(23)30-7-4-8-32(39)41-30/h2-13,16-17,21,26H,14-15,18-20H2,1H3,(H2,39,41)(H,40,45)/t21-/m1/s1.

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

(6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 728.05 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[[2-(6-amino-2-pyridinyl)phenyl]methyl]-7-(4-bromo-3-chlorobenzoyl)-2-(4-cyclopropyloxyphenyl)-6-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164739271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).