lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide

C49H59Cl4LiN10O9 — CID 159085835

IUPAClithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
SMILESC.C.CCOC(=O)c1cnc2c(c(C)nn2C2CCOCC2)c1Cl.Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.[Li+].[OH-]
InChIInChI=1S/C19H18Cl2N4O2.C15H18ClN3O3.C13H14ClN3O3.2CH4.Li.H2O/c1-11-16-17(21)15(19(26)23-13-4-2-12(20)3-5-13)10-22-18(16)25(24-11)14-6-8-27-9-7-14;1-3-22-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-4-6-21-7-5-10;1-7-10-11(14)9(13(18)19)6-15-12(10)17(16-7)8-2-4-20-5-3-8;;;;/h2-5,10,14H,6-9H2,1H3,(H,23,26);8,10H,3-7H2,1-2H3;6,8H,2-5H2,1H3,(H,18,19);2*1H4;;1H2/q;;;;;+1;/p-1
InChIKeyKBKYSDCDJGGLKG-UHFFFAOYSA-M
MW1080.82 g/mol
LogP8.11
Rot. Bonds8

About lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide

lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide (PubChem CID 159085835) has the molecular formula C49H59Cl4LiN10O9 and a molecular weight of 1080.82 g/mol. Its IUPAC name is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide.

Molecular Properties

Compound Namelithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
PubChem CID159085835
Molecular FormulaC49H59Cl4LiN10O9
Molecular Weight1080.82 g/mol
Exact Mass1078.34
IUPAC Namelithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide
SMILESC.C.CCOC(=O)c1cnc2c(c(C)nn2C2CCOCC2)c1Cl.Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.[Li+].[OH-]
InChIInChI=1S/C19H18Cl2N4O2.C15H18ClN3O3.C13H14ClN3O3.2CH4.Li.H2O/c1-11-16-17(21)15(19(26)23-13-4-2-12(20)3-5-13)10-22-18(16)25(24-11)14-6-8-27-9-7-14;1-3-22-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-4-6-21-7-5-10;1-7-10-11(14)9(13(18)19)6-15-12(10)17(16-7)8-2-4-20-5-3-8;;;;/h2-5,10,14H,6-9H2,1H3,(H,23,26);8,10H,3-7H2,1-2H3;6,8H,2-5H2,1H3,(H,18,19);2*1H4;;1H2/q;;;;;+1;/p-1
InChIKeyKBKYSDCDJGGLKG-UHFFFAOYSA-M
XLogP8.11
TPSA242.52 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.82
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide with MolForge

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Related Compounds

Ethyl 4-(4-chloroanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11405223
Ethyl 4-(3-chloroanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11450795
4-Chloro-1-[[2-[5-[[4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-2-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 135257992
2-Chloro-5-hydrazinylbenzoic acid;ethyl 4-chloro-1-methyl-6-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;3-[10-methyl-5-oxo-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-yl]benzoic acid;molecular hydrogen;hydrochloride
CID 160493717
ethyl 4-chloro-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide;1-methylpiperazine;4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 161443345
4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1,3-dimethyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide;1,3-dimethyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-dimethyl-4-morpholin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide;morpholine
CID 161940214
ethyl 1-(4-chlorophenyl)-3-methyl-4-[(2-morpholinoethyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1485597
lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine);ethyl (E)-2-ethylbut-2-enoate;2-ethyl-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;2-ethyl-5-methylpyrazol-3-amine;methane;phosphoryl trichloride;hydroxide
CID 157066077
Ethyl 6-chloro-4-(oxan-4-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylate;4-(oxan-4-ylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-carboxylic acid
CID 157113826
lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-(2-chloroethyl)morpholine;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
CID 157316775
lithium;magnesium;4-amino-3-methylbutanenitrile;5-bromo-2-methylpyridine;carbon dioxide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;deuterio(fluoro)methane;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 2-[[5-methyl-2-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]iminomethyl]butanoate;methane;5-methyl-2-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-amine;6-methylpyridine-3-carbaldehyde;phosphoryl trichloride;propane;chloride;hydroxide
CID 157344798
4-chloro-3-methyl-N-(4-methylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;(2-methylpyrazol-3-yl)methanol
CID 157399355

Frequently Asked Questions

What is the IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide?
The IUPAC name of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide (CID 159085835) is lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide.
What is the SMILES notation for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide?
The canonical SMILES for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide is C.C.CCOC(=O)c1cnc2c(c(C)nn2C2CCOCC2)c1Cl.Cc1nn(C2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCOCC2)c2ncc(C(=O)O)c(Cl)c12.[Li+].[OH-].
What is the InChIKey of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide?
The InChIKey is KBKYSDCDJGGLKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18Cl2N4O2.C15H18ClN3O3.C13H14ClN3O3.2CH4.Li.H2O/c1-11-16-17(21)15(19(26)23-13-4-2-12(20)3-5-13)10-22-18(16)25(24-11)14-6-8-27-9-7-14;1-3-22-15(20)11-8-17-14-12(13(11)16)9(2)18-19(14)10-4-6-21-7-5-10;1-7-10-11(14)9(13(18)19)6-15-12(10)17(16-7)8-2-4-20-5-3-8;;;;/h2-5,10,14H,6-9H2,1H3,(H,23,26);8,10H,3-7H2,1-2H3;6,8H,2-5H2,1H3,(H,18,19);2*1H4;;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide?
lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide has a molecular weight of 1080.82 g/mol, XLogP of 8.11, 8 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate;methane;hydroxide is sourced from PubChem (CID 159085835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).