7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H31N5O4 — CID 53084177

About 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084177) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 53084177
• Molecular Formula: C28H31N5O4
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.24
• IUPAC Name: 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccc(OC)cc1)C2
• InChI: InChI=1S/C28H31N5O4/c1-4-19-7-5-6-8-22(19)31-25(34)23-24-26(35)33(20-11-12-20)28(2,16-32(24)17-30-23)27(36)29-15-18-9-13-21(37-3)14-10-18/h5-10,13-14,17,20H,4,11-12,15-16H2,1-3H3,(H,29,36)(H,31,34)
• InChIKey: XMHGBRDOIFEROA-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084177) is 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCc1ccccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccc(OC)cc1)C2.

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

The InChIKey is XMHGBRDOIFEROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-4-19-7-5-6-8-22(19)31-25(34)23-24-26(35)33(20-11-12-20)28(2,16-32(24)17-30-23)27(36)29-15-18-9-13-21(37-3)14-10-18/h5-10,13-14,17,20H,4,11-12,15-16H2,1-3H3,(H,29,36)(H,31,34).

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

7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 501.59 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-1-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).