lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide

C62H54Cl6LiN21O8 — CID 158968876

About lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (PubChem CID 158968876) has the molecular formula C62H54Cl6LiN21O8 and a molecular weight of 1440.91 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
• PubChem CID: 158968876
• Molecular Formula: C62H54Cl6LiN21O8
• Molecular Weight: 1440.91 g/mol
• Exact Mass: 1437.28
• IUPAC Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
• SMILES: CCOC(=O)c1cnc2c(c(C)nn2Cc2ccncn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(Cc2ccncn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(Cc2ccncn2)c2ncc(C(=O)O)c(Cl)c12.ClCc1ccncn1.[Li+].[OH-]
• InChI: InChI=1S/C19H14Cl2N6O.C15H14ClN5O2.C13H10ClN5O2.C10H10ClN3O2.C5H5ClN2.Li.H2O/c1-11-16-17(21)15(19(28)25-13-4-2-12(20)3-5-13)8-23-18(16)27(26-11)9-14-6-7-22-10-24-14;1-3-23-15(22)11-6-18-14-12(13(11)16)9(2)20-21(14)7-10-4-5-17-8-19-10;1-7-10-11(14)9(13(20)21)4-16-12(10)19(18-7)5-8-2-3-15-6-17-8;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;6-3-5-1-2-7-4-8-5;;/h2-8,10H,9H2,1H3,(H,25,28);4-6,8H,3,7H2,1-2H3;2-4,6H,5H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);1-2,4H,3H2;;1H2/q;;;;;+1;/p-1
• InChIKey: JNNZCKAVVHDKSI-UHFFFAOYSA-M
• XLogP: 8.61
• TPSA: 385.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.91
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

The IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (CID 158968876) is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide.

What is the SMILES notation for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

The canonical SMILES for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide is CCOC(=O)c1cnc2c(c(C)nn2Cc2ccncn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(Cc2ccncn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(Cc2ccncn2)c2ncc(C(=O)O)c(Cl)c12.ClCc1ccncn1.[Li+].[OH-].

What is the InChIKey of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

The InChIKey is JNNZCKAVVHDKSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14Cl2N6O.C15H14ClN5O2.C13H10ClN5O2.C10H10ClN3O2.C5H5ClN2.Li.H2O/c1-11-16-17(21)15(19(28)25-13-4-2-12(20)3-5-13)8-23-18(16)27(26-11)9-14-6-7-22-10-24-14;1-3-23-15(22)11-6-18-14-12(13(11)16)9(2)20-21(14)7-10-4-5-17-8-19-10;1-7-10-11(14)9(13(20)21)4-16-12(10)19(18-7)5-8-2-3-15-6-17-8;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;6-3-5-1-2-7-4-8-5;;/h2-8,10H,9H2,1H3,(H,25,28);4-6,8H,3,7H2,1-2H3;2-4,6H,5H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);1-2,4H,3H2;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide has a molecular weight of 1440.91 g/mol, XLogP of 8.61, 14 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)pyrimidine;4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-(pyrimidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide is sourced from PubChem (CID 158968876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).