lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide

C39H33ArCl5F3LiN14O8 — CID 158933410

About lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide

lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide (PubChem CID 158933410) has the molecular formula C39H33ArCl5F3LiN14O8 and a molecular weight of 1106.93 g/mol. Its IUPAC name is lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide.

Molecular Properties

• Compound Name: lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide
• PubChem CID: 158933410
• Molecular Formula: C39H33ArCl5F3LiN14O8
• Molecular Weight: 1106.93 g/mol
• Exact Mass: 1104.08
• IUPAC Name: lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide
• SMILES: C.Cn1nc(F)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.Cn1nc(F)c2c(Cl)ccnc21.Cn1nc(F)c2c(Cl)ccnc21.Cn1ncc2c(Cl)ccnc21.N.O=C=O.O=C=O.O=C=O.[Ar].[Li+].[OH-]
• InChI: InChI=1S/C14H9Cl2FN4O.2C7H5ClFN3.C7H6ClN3.3CO2.CH4.Ar.Li.H3N.H2O/c1-21-13-10(12(17)20-21)11(16)9(6-18-13)14(22)19-8-4-2-7(15)3-5-8;2*1-12-7-5(6(9)11-12)4(8)2-3-10-7;1-11-7-5(4-10-11)6(8)2-3-9-7;3*2-1-3;;;;;/h2-6H,1H3,(H,19,22);2*2-3H,1H3;2-4H,1H3;;;;1H4;;;1H3;1H2/q;;;;;;;;;+1;;/p-1
• InChIKey: NFLWIVHCRZQHHT-UHFFFAOYSA-M
• XLogP: 4.68
• TPSA: 319.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 2
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.93
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide?

The IUPAC name of lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide (CID 158933410) is lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide.

What is the SMILES notation for lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide?

The canonical SMILES for lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide is C.Cn1nc(F)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.Cn1nc(F)c2c(Cl)ccnc21.Cn1nc(F)c2c(Cl)ccnc21.Cn1ncc2c(Cl)ccnc21.N.O=C=O.O=C=O.O=C=O.[Ar].[Li+].[OH-].

What is the InChIKey of lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide?

The InChIKey is NFLWIVHCRZQHHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9Cl2FN4O.2C7H5ClFN3.C7H6ClN3.3CO2.CH4.Ar.Li.H3N.H2O/c1-21-13-10(12(17)20-21)11(16)9(6-18-13)14(22)19-8-4-2-7(15)3-5-8;2*1-12-7-5(6(9)11-12)4(8)2-3-10-7;1-11-7-5(4-10-11)6(8)2-3-9-7;3*2-1-3;;;;;/h2-6H,1H3,(H,19,22);2*2-3H,1H3;2-4H,1H3;;;;1H4;;;1H3;1H2/q;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide?

lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide has a molecular weight of 1106.93 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide is sourced from PubChem (CID 158933410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).