(6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H30FN5O3 — CID 92743974

About (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92743974) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 92743974
• Molecular Formula: C25H30FN5O3
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.23
• IUPAC Name: (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C25H30FN5O3/c1-25(24(34)28-15-18-8-10-19(26)11-9-18)16-31-21(23(33)30(25)2)14-20(29-31)22(32)27-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13,15-16H2,1-2H3,(H,27,32)(H,28,34)/t25-/m1/s1
• InChIKey: RSXOFBQYXLECSL-RUZDIDTESA-N
• XLogP: 2.80
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92743974) is (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1.

What is the InChIKey of (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is RSXOFBQYXLECSL-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-25(24(34)28-15-18-8-10-19(26)11-9-18)16-31-21(23(33)30(25)2)14-20(29-31)22(32)27-13-12-17-6-4-3-5-7-17/h6,8-11,14H,3-5,7,12-13,15-16H2,1-2H3,(H,27,32)(H,28,34)/t25-/m1/s1.

What are the key properties of (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

(6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92743974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).