lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide

C89H81Br5Cl7LiN19O12P — CID 158189344

About lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide

lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide (PubChem CID 158189344) has the molecular formula C89H81Br5Cl7LiN19O12P and a molecular weight of 2294.35 g/mol. Its IUPAC name is lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide.

Molecular Properties

• Compound Name: lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
• PubChem CID: 158189344
• Molecular Formula: C89H81Br5Cl7LiN19O12P
• Molecular Weight: 2294.35 g/mol
• Exact Mass: 2284.99
• IUPAC Name: lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
• SMILES: CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(Br)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(Br)cc2)c1Cl.Cc1cc(N)n(-c2ccc(Br)cc2)n1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(Br)cc3)c2Cl)cc1.Cc1nn(-c2ccc(Br)cc2)c2nccc(Cl)c12.NNc1ccc(Cl)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
• InChI: InChI=1S/C21H16BrClN4O.C16H20BrN3.C15H13BrClN3.C13H9BrClN3.C10H10BrN3.C6H7ClN2.C4H5NO.4CO2.Cl3OP.Li.H2O/c1-12-3-7-15(8-4-12)25-21(28)17-11-24-20-18(19(17)23)13(2)26-27(20)16-9-5-14(22)6-10-16;1-4-13(5-2)11-18-16-10-12(3)19-20(16)15-8-6-14(17)7-9-15;1-3-10-8-18-15-13(14(10)17)9(2)19-20(15)12-6-4-11(16)5-7-12;1-8-12-11(15)6-7-16-13(12)18(17-8)10-4-2-9(14)3-5-10;1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9;7-5-1-3-6(9-8)4-2-5;1-4(6)2-3-5;4*2-1-3;1-5(2,3)4;;/h3-11H,1-2H3,(H,25,28);6-11,18H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,12H2,1H3;1-4,9H,8H2;2H2,1H3;;;;;;;1H2/q;;;;;;;;;;;;+1;/p-1
• InChIKey: FZNYQSFQXIXOOF-UHFFFAOYSA-M
• XLogP: 21.56
• TPSA: 457.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.35
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide?

The IUPAC name of lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide (CID 158189344) is lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide.

What is the SMILES notation for lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide?

The canonical SMILES for lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide is CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(Br)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(Br)cc2)c1Cl.Cc1cc(N)n(-c2ccc(Br)cc2)n1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(Br)cc3)c2Cl)cc1.Cc1nn(-c2ccc(Br)cc2)c2nccc(Cl)c12.NNc1ccc(Cl)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-].

What is the InChIKey of lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide?

The InChIKey is FZNYQSFQXIXOOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16BrClN4O.C16H20BrN3.C15H13BrClN3.C13H9BrClN3.C10H10BrN3.C6H7ClN2.C4H5NO.4CO2.Cl3OP.Li.H2O/c1-12-3-7-15(8-4-12)25-21(28)17-11-24-20-18(19(17)23)13(2)26-27(20)16-9-5-14(22)6-10-16;1-4-13(5-2)11-18-16-10-12(3)19-20(16)15-8-6-14(17)7-9-15;1-3-10-8-18-15-13(14(10)17)9(2)19-20(15)12-6-4-11(16)5-7-12;1-8-12-11(15)6-7-16-13(12)18(17-8)10-4-2-9(14)3-5-10;1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9;7-5-1-3-6(9-8)4-2-5;1-4(6)2-3-5;4*2-1-3;1-5(2,3)4;;/h3-11H,1-2H3,(H,25,28);6-11,18H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,12H2,1H3;1-4,9H,8H2;2H2,1H3;;;;;;;1H2/q;;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide?

lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide has a molecular weight of 2294.35 g/mol, XLogP of 21.56, 14 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-(4-bromophenyl)-4-chloro-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;1-(4-bromophenyl)-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(4-bromophenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine;2-(4-bromophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-(4-bromophenyl)-5-methylpyrazol-3-amine;tetrakis(carbon dioxide);(4-chlorophenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 158189344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).