6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide

C23H23F2N7O2 — CID 172560130

About 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide

6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide (PubChem CID 172560130) has the molecular formula C23H23F2N7O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
• PubChem CID: 172560130
• Molecular Formula: C23H23F2N7O2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.21
• IUPAC Name: 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(F)n1
• InChI: InChI=1S/C23H23F2N7O2/c1-13-11-27-32-16-5-3-14(18(24)19(16)29-23(34)20(13)32)12-30-7-9-31(10-8-30)17-6-4-15(22(33)26-2)28-21(17)25/h3-6,11H,7-10,12H2,1-2H3,(H,26,33)(H,29,34)/i2D3
• InChIKey: VOXDXGKKLKJKPE-BMSJAHLVSA-N
• XLogP: 1.84
• TPSA: 98.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide (CID 172560130) is 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide is [2H]C([2H])([2H])NC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(F)n1.

What is the InChIKey of 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?

The InChIKey is VOXDXGKKLKJKPE-BMSJAHLVSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-13-11-27-32-16-5-3-14(18(24)19(16)29-23(34)20(13)32)12-30-7-9-31(10-8-30)17-6-4-15(22(33)26-2)28-21(17)25/h3-6,11H,7-10,12H2,1-2H3,(H,26,33)(H,29,34)/i2D3.

What are the key properties of 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide?

6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-[4-[(6-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172560130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).