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

C72H71Cl5LiN23O13S — CID 158388437

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

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide (PubChem CID 158388437) has the molecular formula C72H71Cl5LiN23O13S and a molecular weight of 1682.78 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide.

Molecular Properties

• Compound Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide
• PubChem CID: 158388437
• Molecular Formula: C72H71Cl5LiN23O13S
• Molecular Weight: 1682.78 g/mol
• Exact Mass: 1679.39
• IUPAC Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide
• SMILES: C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2cnccn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CS(=O)(=O)OCc1cnccn1.Cc1nn(Cc2cnccn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(Cc2cnccn2)c2ncc(C(=O)O)c(Cl)c12.OCc1cnccn1.[Li+].[OH-]
• InChI: InChI=1S/C19H14Cl2N6O.C15H14ClN5O2.C13H10ClN5O2.C10H10ClN3O2.C6H8N2O3S.C5H6N2O.C4H8O.Li.H2O/c1-11-16-17(21)15(19(28)25-13-4-2-12(20)3-5-13)9-24-18(16)27(26-11)10-14-8-22-6-7-23-14;1-3-23-15(22)11-7-19-14-12(13(11)16)9(2)20-21(14)8-10-6-17-4-5-18-10;1-7-10-11(14)9(13(20)21)5-17-12(10)19(18-7)6-8-4-15-2-3-16-8;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-12(9,10)11-5-6-4-7-2-3-8-6;8-4-5-3-6-1-2-7-5;1-2-4-5-3-1;;/h2-9H,10H2,1H3,(H,25,28);4-7H,3,8H2,1-2H3;2-5H,6H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);2-4H,5H2,1H3;1-3,8H,4H2;1-4H2;;1H2/q;;;;;;;+1;/p-1
• InChIKey: GWQLXKSAJOELBQ-UHFFFAOYSA-M
• XLogP: 8.12
• TPSA: 484.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.78
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide (CID 158388437) is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide.

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

The canonical SMILES for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide is C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2cnccn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CS(=O)(=O)OCc1cnccn1.Cc1nn(Cc2cnccn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(Cc2cnccn2)c2ncc(C(=O)O)c(Cl)c12.OCc1cnccn1.[Li+].[OH-].

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

The InChIKey is GWQLXKSAJOELBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14Cl2N6O.C15H14ClN5O2.C13H10ClN5O2.C10H10ClN3O2.C6H8N2O3S.C5H6N2O.C4H8O.Li.H2O/c1-11-16-17(21)15(19(28)25-13-4-2-12(20)3-5-13)9-24-18(16)27(26-11)10-14-8-22-6-7-23-14;1-3-23-15(22)11-7-19-14-12(13(11)16)9(2)20-21(14)8-10-6-17-4-5-18-10;1-7-10-11(14)9(13(20)21)5-17-12(10)19(18-7)6-8-4-15-2-3-16-8;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-12(9,10)11-5-6-4-7-2-3-8-6;8-4-5-3-6-1-2-7-5;1-2-4-5-3-1;;/h2-9H,10H2,1H3,(H,25,28);4-7H,3,8H2,1-2H3;2-5H,6H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);2-4H,5H2,1H3;1-3,8H,4H2;1-4H2;;1H2/q;;;;;;;+1;/p-1.

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

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide has a molecular weight of 1682.78 g/mol, XLogP of 8.12, 17 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;oxolane;pyrazin-2-ylmethanol;pyrazin-2-ylmethyl methanesulfonate;hydroxide is sourced from PubChem (CID 158388437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).