lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide

C82H116Cl5LiN18O15 — CID 159121774

About lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide

lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide (PubChem CID 159121774) has the molecular formula C82H116Cl5LiN18O15 and a molecular weight of 1778.15 g/mol. Its IUPAC name is lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide.

Molecular Properties

• Compound Name: lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide
• PubChem CID: 159121774
• Molecular Formula: C82H116Cl5LiN18O15
• Molecular Weight: 1778.15 g/mol
• Exact Mass: 1774.75
• IUPAC Name: lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide
• SMILES: C1CCOC1.CCCCN1CCOCC1.CCOC(=O)c1cnc2c(c(C)nn2CCCN2CCOCC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(CCCN2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCCN2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.OCCCN1CCOCC1.[Li+].[OH-]
• InChI: InChI=1S/C21H23Cl2N5O2.C17H23ClN4O3.C15H19ClN4O3.C10H10ClN3O2.C8H17NO.C7H15NO2.C4H8O.Li.H2O/c1-14-18-19(23)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)8-2-7-27-9-11-30-12-10-27;1-3-25-17(23)13-11-19-16-14(15(13)18)12(2)20-22(16)6-4-5-21-7-9-24-10-8-21;1-10-12-13(16)11(15(21)22)9-17-14(12)20(18-10)4-2-3-19-5-7-23-8-6-19;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-2-3-4-9-5-7-10-8-6-9;9-5-1-2-8-3-6-10-7-4-8;1-2-4-5-3-1;;/h3-6,13H,2,7-12H2,1H3,(H,25,29);11H,3-10H2,1-2H3;9H,2-8H2,1H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);2-8H2,1H3;9H,1-7H2;1-4H2;;1H2/q;;;;;;;+1;/p-1
• InChIKey: KFTYLMFWWMALAC-UHFFFAOYSA-M
• XLogP: 8.67
• TPSA: 374.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1778.15
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide?

The IUPAC name of lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide (CID 159121774) is lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide.

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

The canonical SMILES for lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide is C1CCOC1.CCCCN1CCOCC1.CCOC(=O)c1cnc2c(c(C)nn2CCCN2CCOCC2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1nn(CCCN2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCCN2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.OCCCN1CCOCC1.[Li+].[OH-].

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

The InChIKey is KFTYLMFWWMALAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23Cl2N5O2.C17H23ClN4O3.C15H19ClN4O3.C10H10ClN3O2.C8H17NO.C7H15NO2.C4H8O.Li.H2O/c1-14-18-19(23)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)8-2-7-27-9-11-30-12-10-27;1-3-25-17(23)13-11-19-16-14(15(13)18)12(2)20-22(16)6-4-5-21-7-9-24-10-8-21;1-10-12-13(16)11(15(21)22)9-17-14(12)20(18-10)4-2-3-19-5-7-23-8-6-19;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-2-3-4-9-5-7-10-8-6-9;9-5-1-2-8-3-6-10-7-4-8;1-2-4-5-3-1;;/h3-6,13H,2,7-12H2,1H3,(H,25,29);11H,3-10H2,1-2H3;9H,2-8H2,1H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);2-8H2,1H3;9H,1-7H2;1-4H2;;1H2/q;;;;;;;+1;/p-1.

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

lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide has a molecular weight of 1778.15 g/mol, XLogP of 8.67, 25 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-butylmorpholine;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(3-morpholin-4-ylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;3-morpholin-4-ylpropan-1-ol;oxolane;hydroxide is sourced from PubChem (CID 159121774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).