lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide

C66H62Cl6LiN21O8 — CID 158141397

About lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (PubChem CID 158141397) has the molecular formula C66H62Cl6LiN21O8 and a molecular weight of 1497.02 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
• PubChem CID: 158141397
• Molecular Formula: C66H62Cl6LiN21O8
• Molecular Weight: 1497.02 g/mol
• Exact Mass: 1493.34
• IUPAC Name: lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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)nn2Cc2cc(C)ncn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1cc(CCl)ncn1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)ncn1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)ncn1.[Li+].[OH-]
• InChI: InChI=1S/C20H16Cl2N6O.C16H16ClN5O2.C14H12ClN5O2.C10H10ClN3O2.C6H7ClN2.Li.H2O/c1-11-7-15(25-10-24-11)9-28-19-17(12(2)27-28)18(22)16(8-23-19)20(29)26-14-5-3-13(21)4-6-14;1-4-24-16(23)12-6-18-15-13(14(12)17)10(3)21-22(15)7-11-5-9(2)19-8-20-11;1-7-3-9(18-6-17-7)5-20-13-11(8(2)19-20)12(15)10(4-16-13)14(21)22;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-5-2-6(3-7)9-4-8-5;;/h3-8,10H,9H2,1-2H3,(H,26,29);5-6,8H,4,7H2,1-3H3;3-4,6H,5H2,1-2H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);2,4H,3H2,1H3;;1H2/q;;;;;+1;/p-1
• InChIKey: FTZGOXNXZFUPOE-UHFFFAOYSA-M
• XLogP: 9.85
• TPSA: 385.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.02
LogP ≤ 5	9.85
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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide (CID 158141397) is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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)nn2Cc2cc(C)ncn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1cc(CCl)ncn1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)ncn1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)ncn1.[Li+].[OH-].

What is the InChIKey of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide?

The InChIKey is FTZGOXNXZFUPOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16Cl2N6O.C16H16ClN5O2.C14H12ClN5O2.C10H10ClN3O2.C6H7ClN2.Li.H2O/c1-11-7-15(25-10-24-11)9-28-19-17(12(2)27-28)18(22)16(8-23-19)20(29)26-14-5-3-13(21)4-6-14;1-4-24-16(23)12-6-18-15-13(14(12)17)10(3)21-22(15)7-11-5-9(2)19-8-20-11;1-7-3-9(18-6-17-7)5-20-13-11(8(2)19-20)12(15)10(4-16-13)14(21)22;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-5-2-6(3-7)9-4-8-5;;/h3-8,10H,9H2,1-2H3,(H,26,29);5-6,8H,4,7H2,1-3H3;3-4,6H,5H2,1-2H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);2,4H,3H2,1H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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 1497.02 g/mol, XLogP of 9.85, 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-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]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 158141397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).