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

C25H28N4O6 — CID 92745167

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

ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745167) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92745167
• Molecular Formula: C25H28N4O6
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.20
• IUPAC Name: ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccco1)C2=O
• InChI: InChI=1S/C25H28N4O6/c1-4-34-23(31)19-14-20-22(30)28(12-11-18-9-7-13-35-18)25(2,16-29(20)27-19)24(32)26-15-17-8-5-6-10-21(17)33-3/h5-10,13-14H,4,11-12,15-16H2,1-3H3,(H,26,32)/t25-/m1/s1
• InChIKey: MYBSJXMNXRODFK-RUZDIDTESA-N
• XLogP: 2.43
• TPSA: 115.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745167) is ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(CCc1ccco1)C2=O.

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

The InChIKey is MYBSJXMNXRODFK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O6/c1-4-34-23(31)19-14-20-22(30)28(12-11-18-9-7-13-35-18)25(2,16-29(20)27-19)24(32)26-15-17-8-5-6-10-21(17)33-3/h5-10,13-14H,4,11-12,15-16H2,1-3H3,(H,26,32)/t25-/m1/s1.

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

ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-5-[2-(furan-2-yl)ethyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).