lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide

C52H49F2LiN8O10 — CID 158882033

About lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide

lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide (PubChem CID 158882033) has the molecular formula C52H49F2LiN8O10 and a molecular weight of 990.95 g/mol. Its IUPAC name is lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide
• PubChem CID: 158882033
• Molecular Formula: C52H49F2LiN8O10
• Molecular Weight: 990.95 g/mol
• Exact Mass: 990.37
• IUPAC Name: lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide
• SMILES: CC1CCCO1.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.O=C(O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.OO.[Li+].[OH-]
• InChI: InChI=1S/C24H19FN4O3.C23H17FN4O3.C5H10O.Li.H2O2.H2O/c1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18;24-16-4-6-17(7-5-16)28-20-13-25-11-19(18(20)12-26-28)21(29)27-23(8-9-23)15-3-1-2-14(10-15)22(30)31;1-5-3-2-4-6-5;;1-2;/h2-8,11-14H,9-10H2,1H3,(H,28,30);1-7,10-13H,8-9H2,(H,27,29)(H,30,31);5H,2-4H2,1H3;;1-2H;1H2/q;;;+1;;/p-1
• InChIKey: JDDKZASSIZXZCD-UHFFFAOYSA-M
• XLogP: 5.47
• TPSA: 262.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	990.95
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide?

The IUPAC name of lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide (CID 158882033) is lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide.

What is the SMILES notation for lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide?

The canonical SMILES for lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide is CC1CCCO1.COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.O=C(O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.OO.[Li+].[OH-].

What is the InChIKey of lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide?

The InChIKey is JDDKZASSIZXZCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19FN4O3.C23H17FN4O3.C5H10O.Li.H2O2.H2O/c1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18;24-16-4-6-17(7-5-16)28-20-13-25-11-19(18(20)12-26-28)21(29)27-23(8-9-23)15-3-1-2-14(10-15)22(30)31;1-5-3-2-4-6-5;;1-2;/h2-8,11-14H,9-10H2,1H3,(H,28,30);1-7,10-13H,8-9H2,(H,27,29)(H,30,31);5H,2-4H2,1H3;;1-2H;1H2/q;;;+1;;/p-1.

What are the key properties of lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide?

lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide has a molecular weight of 990.95 g/mol, XLogP of 5.47, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid;hydrogen peroxide;methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate;2-methyloxolane;hydroxide is sourced from PubChem (CID 158882033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).