(6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H28N4O4 — CID 92739331

About (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92739331) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92739331
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@]1(C)C(=O)NCc1ccccc1
• InChI: InChI=1S/C25H28N4O4/c1-25(24(31)26-16-18-7-5-4-6-8-18)17-29-22(23(30)28(25)13-14-32-2)15-21(27-29)19-9-11-20(33-3)12-10-19/h4-12,15H,13-14,16-17H2,1-3H3,(H,26,31)/t25-/m1/s1
• InChIKey: DLCWVOGZSSLVRV-RUZDIDTESA-N
• XLogP: 2.74
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92739331) is (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COCCN1C(=O)c2cc(-c3ccc(OC)cc3)nn2C[C@]1(C)C(=O)NCc1ccccc1.

What is the InChIKey of (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is DLCWVOGZSSLVRV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O4/c1-25(24(31)26-16-18-7-5-4-6-8-18)17-29-22(23(30)28(25)13-14-32-2)15-21(27-29)19-9-11-20(33-3)12-10-19/h4-12,15H,13-14,16-17H2,1-3H3,(H,26,31)/t25-/m1/s1.

What are the key properties of (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92739331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).