6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H33N5O5 — CID 53083863

About 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083863) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53083863
• Molecular Formula: C28H33N5O5
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.25
• IUPAC Name: 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2CC1(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C28H33N5O5/c1-5-13-33-26(35)24-23(25(34)29-16-20-14-21(37-3)11-12-22(20)38-4)31-18-32(24)17-28(33,2)27(36)30-15-19-9-7-6-8-10-19/h6-12,14,18H,5,13,15-17H2,1-4H3,(H,29,34)(H,30,36)
• InChIKey: DCCPSDHWKMIFAM-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083863) is 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2CC1(C)C(=O)NCc1ccccc1.

What is the InChIKey of 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is DCCPSDHWKMIFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-5-13-33-26(35)24-23(25(34)29-16-20-14-21(37-3)11-12-22(20)38-4)31-18-32(24)17-28(33,2)27(36)30-15-19-9-7-6-8-10-19/h6-12,14,18H,5,13,15-17H2,1-4H3,(H,29,34)(H,30,36).

What are the key properties of 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 519.60 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).