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

C24H24F3N7O — CID 171822885

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

4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171822885) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• PubChem CID: 171822885
• Molecular Formula: C24H24F3N7O
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.20
• IUPAC Name: 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• SMILES: CN(CC1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
• InChI: InChI=1S/C24H24F3N7O/c1-32(12-14-3-4-14)34(13-17-7-6-16(10-29-17)24(25,26)27)23(35)15-5-8-20-18(9-15)21-19(22(28)31-20)11-30-33(21)2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,28,31)
• InChIKey: SEHDGVBEAMMIOT-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 93.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	4.02
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'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?

The IUPAC name of 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171822885) is 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

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

The canonical SMILES for 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is CN(CC1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.

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

The InChIKey is SEHDGVBEAMMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-32(12-14-3-4-14)34(13-17-7-6-16(10-29-17)24(25,26)27)23(35)15-5-8-20-18(9-15)21-19(22(28)31-20)11-30-33(21)2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,28,31).

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

4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 483.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N'-(cyclopropylmethyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171822885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).