tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C50H59Cl2F5N10O6 — CID 159880247

About tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159880247) has the molecular formula C50H59Cl2F5N10O6 and a molecular weight of 1061.98 g/mol. Its IUPAC name is tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 159880247
• Molecular Formula: C50H59Cl2F5N10O6
• Molecular Weight: 1061.98 g/mol
• Exact Mass: 1060.39
• IUPAC Name: tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCNC1.ClCCl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H32FN5O3.C21H24FN5O.C2HF3O2.CH2Cl2/c1-5-22(17-7-6-12-31(16-17)25(34)35-26(2,3)4)30-24(33)21-13-28-15-23-20(21)14-29-32(23)19-10-8-18(27)9-11-19;1-2-19(14-4-3-9-23-10-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-7-5-15(22)6-8-16;3-2(4,5)1(6)7;2-1-3/h8-11,13-15,17,22H,5-7,12,16H2,1-4H3,(H,30,33);5-8,11-14,19,23H,2-4,9-10H2,1H3,(H,26,28);(H,6,7);1H2
• InChIKey: CYLCQCYUSUOPCO-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 198.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.98
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 159880247) is tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCCNC1.ClCCl.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is CYLCQCYUSUOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3.C21H24FN5O.C2HF3O2.CH2Cl2/c1-5-22(17-7-6-12-31(16-17)25(34)35-26(2,3)4)30-24(33)21-13-28-15-23-20(21)14-29-32(23)19-10-8-18(27)9-11-19;1-2-19(14-4-3-9-23-10-14)26-21(28)18-11-24-13-20-17(18)12-25-27(20)16-7-5-15(22)6-8-16;3-2(4,5)1(6)7;2-1-3/h8-11,13-15,17,22H,5-7,12,16H2,1-4H3,(H,30,33);5-8,11-14,19,23H,2-4,9-10H2,1H3,(H,26,28);(H,6,7);1H2.

What are the key properties of tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?

tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1061.98 g/mol, XLogP of 9.84, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]piperidine-1-carboxylate;dichloromethane;1-(4-fluorophenyl)-N-(1-piperidin-3-ylpropyl)pyrazolo[5,4-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159880247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).