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

C25H22F5N7O2 — CID 171822862

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

4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171822862) has the molecular formula C25H22F5N7O2 and a molecular weight of 547.49 g/mol. Its IUPAC name is 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

• Compound Name: 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• PubChem CID: 171822862
• Molecular Formula: C25H22F5N7O2
• Molecular Weight: 547.49 g/mol
• Exact Mass: 547.18
• IUPAC Name: 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
• SMILES: CN(C(=O)C(F)(F)C1CC1)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
• InChI: InChI=1S/C25H22F5N7O2/c1-35-20-17-9-13(3-8-19(17)34-21(31)18(20)11-33-35)22(38)37(36(2)23(39)24(26,27)14-4-5-14)12-16-7-6-15(10-32-16)25(28,29)30/h3,6-11,14H,4-5,12H2,1-2H3,(H2,31,34)
• InChIKey: OIDJGYAFHFOEHJ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 110.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.49
LogP ≤ 5	4.18
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'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?

The IUPAC name of 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171822862) is 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-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'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?

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

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

The InChIKey is OIDJGYAFHFOEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F5N7O2/c1-35-20-17-9-13(3-8-19(17)34-21(31)18(20)11-33-35)22(38)37(36(2)23(39)24(26,27)14-4-5-14)12-16-7-6-15(10-32-16)25(28,29)30/h3,6-11,14H,4-5,12H2,1-2H3,(H2,31,34).

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

4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 547.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N'-(2-cyclopropyl-2,2-difluoroacetyl)-N',1-dimethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171822862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).