lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide

C74H69Cl5F15LiN15O16P — CID 161190825

IUPAClithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide
SMILESC.CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(OC(F)(F)F)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(OC(F)(F)F)cc2)c1Cl.Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(Cl)c12.NNc1ccc(OC(F)(F)F)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C17H20F3N3O.C16H13ClF3N3O.C14H9ClF3N3O.C11H10F3N3O.C7H7F3N2O.C4H5NO.4CO2.CH4.Cl3OP.Li.H2O/c1-4-13(5-2)11-21-16-10-12(3)22-23(16)14-6-8-15(9-7-14)24-17(18,19)20;1-3-10-8-21-15-13(14(10)17)9(2)22-23(15)11-4-6-12(7-5-11)24-16(18,19)20;1-8-12-11(15)6-7-19-13(12)21(20-8)9-2-4-10(5-3-9)22-14(16,17)18;1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14;8-7(9,10)13-6-3-1-5(12-11)2-4-6;1-4(6)2-3-5;4*2-1-3;;1-5(2,3)4;;/h6-11,21H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,15H2,1H3;1-4,12H,11H2;2H2,1H3;;;;;1H4;;;1H2/q;;;;;;;;;;;;+1;/p-1
InChIKeyUTRUOZVILJXNMO-UHFFFAOYSA-M
MW1924.60 g/mol
LogP17.28
Rot. Bonds16

About lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide

lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide (PubChem CID 161190825) has the molecular formula C74H69Cl5F15LiN15O16P and a molecular weight of 1924.60 g/mol. Its IUPAC name is lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide.

Molecular Properties

Compound Namelithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide
PubChem CID161190825
Molecular FormulaC74H69Cl5F15LiN15O16P
Molecular Weight1924.60 g/mol
Exact Mass1921.31
IUPAC Namelithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide
SMILESC.CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(OC(F)(F)F)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(OC(F)(F)F)cc2)c1Cl.Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(Cl)c12.NNc1ccc(OC(F)(F)F)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=P(Cl)(Cl)Cl.[Li+].[OH-]
InChIInChI=1S/C17H20F3N3O.C16H13ClF3N3O.C14H9ClF3N3O.C11H10F3N3O.C7H7F3N2O.C4H5NO.4CO2.CH4.Cl3OP.Li.H2O/c1-4-13(5-2)11-21-16-10-12(3)22-23(16)14-6-8-15(9-7-14)24-17(18,19)20;1-3-10-8-21-15-13(14(10)17)9(2)22-23(15)11-4-6-12(7-5-11)24-16(18,19)20;1-8-12-11(15)6-7-19-13(12)21(20-8)9-2-4-10(5-3-9)22-14(16,17)18;1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14;8-7(9,10)13-6-3-1-5(12-11)2-4-6;1-4(6)2-3-5;4*2-1-3;;1-5(2,3)4;;/h6-11,21H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,15H2,1H3;1-4,12H,11H2;2H2,1H3;;;;;1H4;;;1H2/q;;;;;;;;;;;;+1;/p-1
InChIKeyUTRUOZVILJXNMO-UHFFFAOYSA-M
XLogP17.28
TPSA443.80 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.60
LogP ≤ 517.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethyl)phenyl]hydrazine;hydroxide
CID 158128969
lithium;acetonitrile;argon;azane;pentakis(carbon dioxide);4-chloro-5-ethyl-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine;4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine;ethyl acetate;N-(2-ethylbut-1-enyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-amine;ethyl (E)-2-ethylbut-2-enoate;3-oxobutanenitrile;phenylhydrazine;1-phenyl-3-(trifluoromethyl)pyrazol-5-amine;phosphoryl trichloride;hydroxide
CID 161806319
lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine;4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-(4-methoxyphenyl)-5-methylpyrazol-3-amine;methane;(4-methoxyphenyl)hydrazine;2-(4-methoxyphenyl)-5-methylpyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
CID 161717465

Frequently Asked Questions

What is the IUPAC name of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide?
The IUPAC name of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide (CID 161190825) is lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide.
What is the SMILES notation for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide?
The canonical SMILES for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide is C.CC(=O)CC#N.CCC(=CNc1cc(C)nn1-c1ccc(OC(F)(F)F)cc1)CC.CCc1cnc2c(c(C)nn2-c2ccc(OC(F)(F)F)cc2)c1Cl.Cc1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(Cl)c12.NNc1ccc(OC(F)(F)F)cc1.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;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide?
The InChIKey is UTRUOZVILJXNMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20F3N3O.C16H13ClF3N3O.C14H9ClF3N3O.C11H10F3N3O.C7H7F3N2O.C4H5NO.4CO2.CH4.Cl3OP.Li.H2O/c1-4-13(5-2)11-21-16-10-12(3)22-23(16)14-6-8-15(9-7-14)24-17(18,19)20;1-3-10-8-21-15-13(14(10)17)9(2)22-23(15)11-4-6-12(7-5-11)24-16(18,19)20;1-8-12-11(15)6-7-19-13(12)21(20-8)9-2-4-10(5-3-9)22-14(16,17)18;1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14;8-7(9,10)13-6-3-1-5(12-11)2-4-6;1-4(6)2-3-5;4*2-1-3;;1-5(2,3)4;;/h6-11,21H,4-5H2,1-3H3;4-8H,3H2,1-2H3;2-7H,1H3;2-6H,15H2,1H3;1-4,12H,11H2;2H2,1H3;;;;;1H4;;;1H2/q;;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide?
lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide has a molecular weight of 1924.60 g/mol, XLogP of 17.28, 16 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;methane;5-methyl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;[4-(trifluoromethoxy)phenyl]hydrazine;hydroxide is sourced from PubChem (CID 161190825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).