1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H32FN5O5 — CID 53083952

About 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53083952) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53083952
• Molecular Formula: C28H32FN5O5
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.24
• IUPAC Name: 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)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)NCc1ccc(F)cc1
• InChI: InChI=1S/C28H32FN5O5/c1-5-12-34-26(36)24-23(25(35)30-15-19-13-21(38-3)10-11-22(19)39-4)32-17-33(24)16-28(34,2)27(37)31-14-18-6-8-20(29)9-7-18/h6-11,13,17H,5,12,14-16H2,1-4H3,(H,30,35)(H,31,37)
• InChIKey: QSLHNNSZFKFZIN-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53083952) is 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)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)NCc1ccc(F)cc1.

What is the InChIKey of 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is QSLHNNSZFKFZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-5-12-34-26(36)24-23(25(35)30-15-19-13-21(38-3)10-11-22(19)39-4)32-17-33(24)16-28(34,2)27(37)31-14-18-6-8-20(29)9-7-18/h6-11,13,17H,5,12,14-16H2,1-4H3,(H,30,35)(H,31,37).

What are the key properties of 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 537.59 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53083952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).