lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide

C66H82Cl6LiN17O12 — CID 157316775

About lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (PubChem CID 157316775) has the molecular formula C66H82Cl6LiN17O12 and a molecular weight of 1525.15 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
• PubChem CID: 157316775
• Molecular Formula: C66H82Cl6LiN17O12
• Molecular Weight: 1525.15 g/mol
• Exact Mass: 1521.46
• IUPAC Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
• SMILES: CCOC(=O)c1cnc2c(c(C)nn2CCN2CCOCC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.ClCCN1CCOCC1.[Li+].[OH-]
• InChI: InChI=1S/C20H21Cl2N5O2.C16H21ClN4O3.C14H17ClN4O3.C10H10ClN3O2.C6H12ClNO.Li.H2O/c1-13-17-18(22)16(20(28)24-15-4-2-14(21)3-5-15)12-23-19(17)27(25-13)7-6-26-8-10-29-11-9-26;1-3-24-16(22)12-10-18-15-13(14(12)17)11(2)19-21(15)5-4-20-6-8-23-9-7-20;1-9-11-12(15)10(14(20)21)8-16-13(11)19(17-9)3-2-18-4-6-22-7-5-18;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;7-1-2-8-3-5-9-6-4-8;;/h2-5,12H,6-11H2,1H3,(H,24,28);10H,3-9H2,1-2H3;8H,2-7H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);1-6H2;;1H2/q;;;;;+1;/p-1
• InChIKey: BDRNCGUCGYRMRE-UHFFFAOYSA-M
• XLogP: 6.44
• TPSA: 332.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.15
LogP ≤ 5	6.44
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-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

The IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (CID 157316775) is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide.

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

The canonical SMILES for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide is CCOC(=O)c1cnc2c(c(C)nn2CCN2CCOCC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.ClCCN1CCOCC1.[Li+].[OH-].

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

The InChIKey is BDRNCGUCGYRMRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21Cl2N5O2.C16H21ClN4O3.C14H17ClN4O3.C10H10ClN3O2.C6H12ClNO.Li.H2O/c1-13-17-18(22)16(20(28)24-15-4-2-14(21)3-5-15)12-23-19(17)27(25-13)7-6-26-8-10-29-11-9-26;1-3-24-16(22)12-10-18-15-13(14(12)17)11(2)19-21(15)5-4-20-6-8-23-9-7-20;1-9-11-12(15)10(14(20)21)8-16-13(11)19(17-9)3-2-18-4-6-22-7-5-18;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;7-1-2-8-3-5-9-6-4-8;;/h2-5,12H,6-11H2,1H3,(H,24,28);10H,3-9H2,1-2H3;8H,2-7H2,1H3,(H,20,21);4H,3H2,1-2H3,(H,12,13,14);1-6H2;;1H2/q;;;;;+1;/p-1.

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

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide has a molecular weight of 1525.15 g/mol, XLogP of 6.44, 18 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-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide is sourced from PubChem (CID 157316775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).