lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide

C83H89Cl4LiN18O18S — CID 158632457

About lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide

lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide (PubChem CID 158632457) has the molecular formula C83H89Cl4LiN18O18S and a molecular weight of 1807.55 g/mol. Its IUPAC name is lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide.

Molecular Properties

• Compound Name: lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide
• PubChem CID: 158632457
• Molecular Formula: C83H89Cl4LiN18O18S
• Molecular Weight: 1807.55 g/mol
• Exact Mass: 1804.52
• IUPAC Name: lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide
• SMILES: C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2ccc(OC)cn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.COc1ccc(CO)cn1.COc1ccc(COS(C)(=O)=O)cn1.COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C)cc4)cnc32)nc1.COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)nc1.[Li+].[OH-]
• InChI: InChI=1S/C22H20ClN5O2.C17H17ClN4O3.C15H13ClN4O3.C10H10ClN3O2.C8H11NO4S.C7H9NO2.C4H8O.Li.H2O/c1-13-4-6-15(7-5-13)26-22(29)18-11-25-21-19(20(18)23)14(2)27-28(21)12-16-8-9-17(30-3)10-24-16;1-4-25-17(23)13-8-20-16-14(15(13)18)10(2)21-22(16)9-11-5-6-12(24-3)7-19-11;1-8-12-13(16)11(15(21)22)6-18-14(12)20(19-8)7-9-3-4-10(23-2)5-17-9;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-12-8-4-3-7(5-9-8)6-13-14(2,10)11;1-10-7-3-2-6(5-9)4-8-7;1-2-4-5-3-1;;/h4-11H,12H2,1-3H3,(H,26,29);5-8H,4,9H2,1-3H3;3-6H,7H2,1-2H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);3-5H,6H2,1-2H3;2-4,9H,5H2,1H3;1-4H2;;1H2/q;;;;;;;+1;/p-1
• InChIKey: HZJDJRZITQMOQP-UHFFFAOYSA-M
• XLogP: 10.84
• TPSA: 466.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.55
LogP ≤ 5	10.84
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-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide?

The IUPAC name of lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide (CID 158632457) is lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide.

What is the SMILES notation for lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide?

The canonical SMILES for lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide is C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2ccc(OC)cn2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.COc1ccc(CO)cn1.COc1ccc(COS(C)(=O)=O)cn1.COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(C)cc4)cnc32)nc1.COc1ccc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)nc1.[Li+].[OH-].

What is the InChIKey of lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide?

The InChIKey is HZJDJRZITQMOQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20ClN5O2.C17H17ClN4O3.C15H13ClN4O3.C10H10ClN3O2.C8H11NO4S.C7H9NO2.C4H8O.Li.H2O/c1-13-4-6-15(7-5-13)26-22(29)18-11-25-21-19(20(18)23)14(2)27-28(21)12-16-8-9-17(30-3)10-24-16;1-4-25-17(23)13-8-20-16-14(15(13)18)10(2)21-22(16)9-11-5-6-12(24-3)7-19-11;1-8-12-13(16)11(15(21)22)6-18-14(12)20(19-8)7-9-3-4-10(23-2)5-17-9;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-12-8-4-3-7(5-9-8)6-13-14(2,10)11;1-10-7-3-2-6(5-9)4-8-7;1-2-4-5-3-1;;/h4-11H,12H2,1-3H3,(H,26,29);5-8H,4,9H2,1-3H3;3-6H,7H2,1-2H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);3-5H,6H2,1-2H3;2-4,9H,5H2,1H3;1-4H2;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide?

lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide has a molecular weight of 1807.55 g/mol, XLogP of 10.84, 22 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[(5-methoxy-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(6-methoxy-3-pyridinyl)methanol;(6-methoxy-3-pyridinyl)methyl methanesulfonate;oxolane;hydroxide is sourced from PubChem (CID 158632457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).