4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide

C23H20F3N7O2 — CID 171822911

About 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide

4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171822911) has the molecular formula C23H20F3N7O2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide
• PubChem CID: 171822911
• Molecular Formula: C23H20F3N7O2
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.16
• IUPAC Name: 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide
• SMILES: CN(C(=O)C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cn[nH]c3c2c1
• InChI: InChI=1S/C23H20F3N7O2/c1-32(21(34)12-2-3-12)33(11-15-6-5-14(9-28-15)23(24,25)26)22(35)13-4-7-18-16(8-13)19-17(10-29-31-19)20(27)30-18/h4-10,12H,2-3,11H2,1H3,(H2,27,30)(H,29,31)
• InChIKey: IJOILOLIHWUVFE-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 121.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide?

The IUPAC name of 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171822911) is 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide.

What is the SMILES notation for 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide?

The canonical SMILES for 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide is CN(C(=O)C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cn[nH]c3c2c1.

What is the InChIKey of 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide?

The InChIKey is IJOILOLIHWUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2/c1-32(21(34)12-2-3-12)33(11-15-6-5-14(9-28-15)23(24,25)26)22(35)13-4-7-18-16(8-13)19-17(10-29-31-19)20(27)30-18/h4-10,12H,2-3,11H2,1H3,(H2,27,30)(H,29,31).

What are the key properties of 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide?

4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 483.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N'-(cyclopropanecarbonyl)-N'-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171822911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).