ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C22H28N4O6 — CID 92745229

About ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745229) has the molecular formula C22H28N4O6 and a molecular weight of 444.49 g/mol. Its IUPAC name is ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92745229
• Molecular Formula: C22H28N4O6
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.20
• IUPAC Name: ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCOC)N(Cc1ccccc1OC)C2=O
• InChI: InChI=1S/C22H28N4O6/c1-5-32-20(28)16-12-17-19(27)25(13-15-8-6-7-9-18(15)31-4)22(2,14-26(17)24-16)21(29)23-10-11-30-3/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,23,29)/t22-/m1/s1
• InChIKey: GPHQHKGUHKATGC-JOCHJYFZSA-N
• XLogP: 1.25
• TPSA: 111.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The IUPAC name of ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745229) is ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

What is the SMILES notation for ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The canonical SMILES for ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCOC)N(Cc1ccccc1OC)C2=O.

What is the InChIKey of ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is GPHQHKGUHKATGC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N4O6/c1-5-32-20(28)16-12-17-19(27)25(13-15-8-6-7-9-18(15)31-4)22(2,14-26(17)24-16)21(29)23-10-11-30-3/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,23,29)/t22-/m1/s1.

What are the key properties of ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 1.25, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-6-(2-methoxyethylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).