lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide

C66H91Cl7LiN16O15P — CID 158614689

About lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide

lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide (PubChem CID 158614689) has the molecular formula C66H91Cl7LiN16O15P and a molecular weight of 1634.64 g/mol. Its IUPAC name is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide.

Molecular Properties

• Compound Name: lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide
• PubChem CID: 158614689
• Molecular Formula: C66H91Cl7LiN16O15P
• Molecular Weight: 1634.64 g/mol
• Exact Mass: 1630.46
• IUPAC Name: lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide
• SMILES: C.C.C.C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(C)nn1C)CC.CCc1cnc2c(c(C)nn2C)c1Cl.Cc1cc(N)n(C)n1.Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C)c2nccc(Cl)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
• InChI: InChI=1S/C15H12Cl2N4O.C11H19N3.C10H12ClN3.C8H8ClN3.C8H14O2.C5H9N3.5CO2.4CH4.Cl3OP.Li.H2O/c1-8-12-13(17)11(7-18-14(12)21(2)20-8)15(22)19-10-5-3-9(16)4-6-10;1-5-10(6-2)8-12-11-7-9(3)13-14(11)4;1-4-7-5-12-10-8(9(7)11)6(2)13-14(10)3;1-5-7-6(9)3-4-10-8(7)12(2)11-5;1-4-7(5-2)8(9)10-6-3;1-4-3-5(6)8(2)7-4;5*2-1-3;;;;;1-5(2,3)4;;/h3-7H,1-2H3,(H,19,22);7-8,12H,5-6H2,1-4H3;5H,4H2,1-3H3;3-4H,1-2H3;4H,5-6H2,1-3H3;3H,6H2,1-2H3;;;;;;4*1H4;;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1/b;;;;7-4+
• InChIKey: HXGBEINGTDRMIR-MPGDKDDKSA-M
• XLogP: 12.58
• TPSA: 438.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.64
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide?

The IUPAC name of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide (CID 158614689) is lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide.

What is the SMILES notation for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide?

The canonical SMILES for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide is C.C.C.C.C/C=C(\CC)C(=O)OCC.CCC(=CNc1cc(C)nn1C)CC.CCc1cnc2c(c(C)nn2C)c1Cl.Cc1cc(N)n(C)n1.Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C)c2nccc(Cl)c12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-].

What is the InChIKey of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide?

The InChIKey is HXGBEINGTDRMIR-MPGDKDDKSA-M. The full InChI is InChI=1S/C15H12Cl2N4O.C11H19N3.C10H12ClN3.C8H8ClN3.C8H14O2.C5H9N3.5CO2.4CH4.Cl3OP.Li.H2O/c1-8-12-13(17)11(7-18-14(12)21(2)20-8)15(22)19-10-5-3-9(16)4-6-10;1-5-10(6-2)8-12-11-7-9(3)13-14(11)4;1-4-7-5-12-10-8(9(7)11)6(2)13-14(10)3;1-5-7-6(9)3-4-10-8(7)12(2)11-5;1-4-7(5-2)8(9)10-6-3;1-4-3-5(6)8(2)7-4;5*2-1-3;;;;;1-5(2,3)4;;/h3-7H,1-2H3,(H,19,22);7-8,12H,5-6H2,1-4H3;5H,4H2,1-3H3;3-4H,1-2H3;4H,5-6H2,1-3H3;3H,6H2,1-2H3;;;;;;4*1H4;;;1H2/q;;;;;;;;;;;;;;;;+1;/p-1/b;;;;7-4+;;;;;;;;;;;;;.

What are the key properties of lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide?

lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide has a molecular weight of 1634.64 g/mol, XLogP of 12.58, 10 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine;4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridine;2,5-dimethylpyrazol-3-amine;N-(2-ethylbut-1-enyl)-2,5-dimethylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;methane;phosphoryl trichloride;hydroxide is sourced from PubChem (CID 158614689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).