(6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C24H32BrN5O3 — CID 92749879

About (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 92749879) has the molecular formula C24H32BrN5O3 and a molecular weight of 518.46 g/mol. Its IUPAC name is (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 92749879
• Molecular Formula: C24H32BrN5O3
• Molecular Weight: 518.46 g/mol
• Exact Mass: 517.17
• IUPAC Name: (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NCCC(C)C
• InChI: InChI=1S/C24H32BrN5O3/c1-5-11-30-22(32)20-19(21(31)27-13-17-7-6-8-18(25)12-17)28-15-29(20)14-24(30,4)23(33)26-10-9-16(2)3/h6-8,12,15-16H,5,9-11,13-14H2,1-4H3,(H,26,33)(H,27,31)/t24-/m1/s1
• InChIKey: XIYBTFHCMWZNAY-XMMPIXPASA-N
• XLogP: 3.36
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.46
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 92749879) is (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NCCC(C)C.

What is the InChIKey of (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is XIYBTFHCMWZNAY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32BrN5O3/c1-5-11-30-22(32)20-19(21(31)27-13-17-7-6-8-18(25)12-17)28-15-29(20)14-24(30,4)23(33)26-10-9-16(2)3/h6-8,12,15-16H,5,9-11,13-14H2,1-4H3,(H,26,33)(H,27,31)/t24-/m1/s1.

What are the key properties of (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 518.46 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 92749879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).