(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C24H30BrN5O4 — CID 98318050

About (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 98318050) has the molecular formula C24H30BrN5O4 and a molecular weight of 532.44 g/mol. Its IUPAC name is (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 98318050
• Molecular Formula: C24H30BrN5O4
• Molecular Weight: 532.44 g/mol
• Exact Mass: 531.15
• IUPAC Name: (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H30BrN5O4/c1-4-30-22(32)20-19(21(31)26-12-15-11-16(25)9-10-18(15)34-3)27-14-29(20)13-24(30,2)23(33)28-17-7-5-6-8-17/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,26,31)(H,28,33)/t24-/m1/s1
• InChIKey: QQZMYFAAGALVNL-XMMPIXPASA-N
• XLogP: 2.88
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.44
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 98318050) is (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCN1C(=O)c2c(C(=O)NCc3cc(Br)ccc3OC)ncn2C[C@]1(C)C(=O)NC1CCCC1.

What is the InChIKey of (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is QQZMYFAAGALVNL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30BrN5O4/c1-4-30-22(32)20-19(21(31)26-12-15-11-16(25)9-10-18(15)34-3)27-14-29(20)13-24(30,2)23(33)28-17-7-5-6-8-17/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,26,31)(H,28,33)/t24-/m1/s1.

What are the key properties of (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 532.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 98318050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).