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

C22H25FN4O4 — CID 92744612

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

methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744612) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744612
• Molecular Formula: C22H25FN4O4
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.19
• IUPAC Name: methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccccc1F)C2=O
• InChI: InChI=1S/C22H25FN4O4/c1-22(21(30)24-14-8-4-3-5-9-14)13-26-18(12-16(25-26)20(29)31-2)19(28)27(22)17-11-7-6-10-15(17)23/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,30)/t22-/m1/s1
• InChIKey: NHIBVUYPINYCMD-JOCHJYFZSA-N
• XLogP: 2.68
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744612) is methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

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

The canonical SMILES for methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccccc1F)C2=O.

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

The InChIKey is NHIBVUYPINYCMD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-22(21(30)24-14-8-4-3-5-9-14)13-26-18(12-16(25-26)20(29)31-2)19(28)27(22)17-11-7-6-10-15(17)23/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,30)/t22-/m1/s1.

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

methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 428.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).