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

C25H24F3N7O2 — CID 171823559

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

4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823559) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• PubChem CID: 171823559
• Molecular Formula: C25H24F3N7O2
• Molecular Weight: 511.51 g/mol
• Exact Mass: 511.19
• IUPAC Name: 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• SMILES: CCN(C(=O)C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
• InChI: InChI=1S/C25H24F3N7O2/c1-3-34(23(36)14-4-5-14)35(13-17-8-7-16(11-30-17)25(26,27)28)24(37)15-6-9-20-18(10-15)21-19(22(29)32-20)12-31-33(21)2/h6-12,14H,3-5,13H2,1-2H3,(H2,29,32)
• InChIKey: PZLBXGDSNOGNOJ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 110.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.51
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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

The IUPAC name of 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823559) is 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

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

The canonical SMILES for 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is CCN(C(=O)C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.

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

The InChIKey is PZLBXGDSNOGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c1-3-34(23(36)14-4-5-14)35(13-17-8-7-16(11-30-17)25(26,27)28)24(37)15-6-9-20-18(10-15)21-19(22(29)32-20)12-31-33(21)2/h6-12,14H,3-5,13H2,1-2H3,(H2,29,32).

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

4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 511.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N'-(cyclopropanecarbonyl)-N'-ethyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).