ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C26H36N4O5 — CID 92734992

About ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92734992) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92734992
• Molecular Formula: C26H36N4O5
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.27
• IUPAC Name: ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1ccc(OC(C)C)cc1)C2=O
• InChI: InChI=1S/C26H36N4O5/c1-7-34-24(32)21-14-22-23(31)29(15-19-8-10-20(11-9-19)35-18(4)5)26(6,16-30(22)28-21)25(33)27-13-12-17(2)3/h8-11,14,17-18H,7,12-13,15-16H2,1-6H3,(H,27,33)/t26-/m0/s1
• InChIKey: PGPBIQHUNYPZNN-SANMLTNESA-N
• XLogP: 3.42
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The IUPAC name of ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92734992) is ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

What is the SMILES notation for ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The canonical SMILES for ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(Cc1ccc(OC(C)C)cc1)C2=O.

What is the InChIKey of ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is PGPBIQHUNYPZNN-SANMLTNESA-N. The full InChI is InChI=1S/C26H36N4O5/c1-7-34-24(32)21-14-22-23(31)29(15-19-8-10-20(11-9-19)35-18(4)5)26(6,16-30(22)28-21)25(33)27-13-12-17(2)3/h8-11,14,17-18H,7,12-13,15-16H2,1-6H3,(H,27,33)/t26-/m0/s1.

What are the key properties of ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6S)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92734992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).