N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

C26H22F4N8O2 — CID 171823472

About N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823472) has the molecular formula C26H22F4N8O2 and a molecular weight of 554.51 g/mol. Its IUPAC name is N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
• PubChem CID: 171823472
• Molecular Formula: C26H22F4N8O2
• Molecular Weight: 554.51 g/mol
• Exact Mass: 554.18
• IUPAC Name: N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
• SMILES: CC(=O)N(C)N(Cc1ccc(-c2cn(C(F)(F)F)cn2)cc1F)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
• InChI: InChI=1S/C26H22F4N8O2/c1-14(39)36(3)38(11-17-5-4-15(9-20(17)27)22-12-37(13-32-22)26(28,29)30)25(40)16-6-7-21-18(8-16)23-19(24(31)34-21)10-33-35(23)2/h4-10,12-13H,11H2,1-3H3,(H2,31,34)
• InChIKey: VMUGDSRLTJUYTM-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 115.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.51
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?

The IUPAC name of N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823472) is N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.

What is the SMILES notation for N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?

The canonical SMILES for N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is CC(=O)N(C)N(Cc1ccc(-c2cn(C(F)(F)F)cn2)cc1F)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.

What is the InChIKey of N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?

The InChIKey is VMUGDSRLTJUYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N8O2/c1-14(39)36(3)38(11-17-5-4-15(9-20(17)27)22-12-37(13-32-22)26(28,29)30)25(40)16-6-7-21-18(8-16)23-19(24(31)34-21)10-33-35(23)2/h4-10,12-13H,11H2,1-3H3,(H2,31,34).

What are the key properties of N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?

N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 554.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).