4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide

C22H22F3N7O — CID 174376767

About 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide

4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide (PubChem CID 174376767) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide
• PubChem CID: 174376767
• Molecular Formula: C22H22F3N7O
• Molecular Weight: 457.46 g/mol
• Exact Mass: 457.18
• IUPAC Name: 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide
• SMILES: CCN(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1
• InChI: InChI=1S/C22H22F3N7O/c1-4-30(2)32(12-15-7-6-14(10-27-15)22(23,24)25)21(33)13-5-8-18-16(9-13)17-11-28-31(3)19(17)20(26)29-18/h5-11H,4,12H2,1-3H3,(H2,26,29)
• InChIKey: JVFVGTOXLRCMLM-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 93.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.46
LogP ≤ 5	3.63
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'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide?

The IUPAC name of 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide (CID 174376767) is 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide.

What is the SMILES notation for 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide?

The canonical SMILES for 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide is CCN(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1.

What is the InChIKey of 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide?

The InChIKey is JVFVGTOXLRCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-4-30(2)32(12-15-7-6-14(10-27-15)22(23,24)25)21(33)13-5-8-18-16(9-13)17-11-28-31(3)19(17)20(26)29-18/h5-11H,4,12H2,1-3H3,(H2,26,29).

What are the key properties of 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide?

4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide has a molecular weight of 457.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N'-ethyl-N',3-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[5,4-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 174376767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).