lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide

C56H61Cl5LiN13O10 — CID 158904504

About lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide

lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide (PubChem CID 158904504) has the molecular formula C56H61Cl5LiN13O10 and a molecular weight of 1260.39 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide.

Molecular Properties

• Compound Name: lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
• PubChem CID: 158904504
• Molecular Formula: C56H61Cl5LiN13O10
• Molecular Weight: 1260.39 g/mol
• Exact Mass: 1257.33
• IUPAC Name: lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
• SMILES: C.CCOC(=O)c1cnc2c(c(C)nn2C2CC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(C2CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CC2)c2ncc(C(=O)O)c(Cl)c12.OC(O)C1CC1.[Li+].[OH-]
• InChI: InChI=1S/C17H14Cl2N4O.C13H14ClN3O2.C11H10ClN3O2.C10H10ClN3O2.C4H8O2.CH4.Li.H2O/c1-9-14-15(19)13(8-20-16(14)23(22-9)12-6-7-12)17(24)21-11-4-2-10(18)3-5-11;1-3-19-13(18)9-6-15-12-10(11(9)14)7(2)16-17(12)8-4-5-8;1-5-8-9(12)7(11(16)17)4-13-10(8)15(14-5)6-2-3-6;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;5-4(6)3-1-2-3;;;/h2-5,8,12H,6-7H2,1H3,(H,21,24);6,8H,3-5H2,1-2H3;4,6H,2-3H2,1H3,(H,16,17);4H,3H2,1-2H3,(H,12,13,14);3-6H,1-2H2;1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: JFWKBFVXYAMUJQ-UHFFFAOYSA-M
• XLogP: 9.23
• TPSA: 323.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.39
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide (CID 158904504) is lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide.

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

The canonical SMILES for lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide is C.CCOC(=O)c1cnc2c(c(C)nn2C2CC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(C2CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CC2)c2ncc(C(=O)O)c(Cl)c12.OC(O)C1CC1.[Li+].[OH-].

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

The InChIKey is JFWKBFVXYAMUJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14Cl2N4O.C13H14ClN3O2.C11H10ClN3O2.C10H10ClN3O2.C4H8O2.CH4.Li.H2O/c1-9-14-15(19)13(8-20-16(14)23(22-9)12-6-7-12)17(24)21-11-4-2-10(18)3-5-11;1-3-19-13(18)9-6-15-12-10(11(9)14)7(2)16-17(12)8-4-5-8;1-5-8-9(12)7(11(16)17)4-13-10(8)15(14-5)6-2-3-6;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;5-4(6)3-1-2-3;;;/h2-5,8,12H,6-7H2,1H3,(H,21,24);6,8H,3-5H2,1-2H3;4,6H,2-3H2,1H3,(H,16,17);4H,3H2,1-2H3,(H,12,13,14);3-6H,1-2H2;1H4;;1H2/q;;;;;;+1;/p-1.

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

lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide has a molecular weight of 1260.39 g/mol, XLogP of 9.23, 11 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-chloro-N-(4-chlorophenyl)-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;cyclopropylmethanediol;ethyl 4-chloro-1-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide is sourced from PubChem (CID 158904504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).