sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide

C131H133Cl4F8N25NaO21P — CID 159138371

IUPACsodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide
SMILESC.C.CCC.CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2C)c1Cl.CCOC(=O)c1cnc2c(c1)c(-c1ccccc1)nn2C.CCOC=C(C(=O)OCC)C(=O)OCC.CCOOCC1(/C=C\Nc2cc(-c3ccccc3)nn2C)OO1.Cn1nc(-c2ccccc2)c2cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc21.Cn1nc(-c2ccccc2)c2cc(C(=O)O)cnc21.Cn1nc(-c2ccccc2)c2cc(C(N)=O)cnc21.Cn1nc(-c2ccccc2)cc1N.O=C=Nc1ccc(F)c(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C22H15F4N5O2.C16H14ClN3O2.C16H19N3O4.C16H15N3O2.C14H12N4O.C14H11N3O2.C10H11N3.C10H16O5.C8H3F4NO.C3H8.2CH4.Cl3OP.Na.H2O/c1-31-19-15(18(30-31)12-5-3-2-4-6-12)9-13(11-27-19)20(32)29-21(33)28-14-7-8-17(23)16(10-14)22(24,25)26;1-3-22-16(21)11-9-18-15-12(13(11)17)14(19-20(15)2)10-7-5-4-6-8-10;1-3-20-21-12-16(22-23-16)9-10-17-15-11-14(18-19(15)2)13-7-5-4-6-8-13;1-3-21-16(20)12-9-13-14(11-7-5-4-6-8-11)18-19(2)15(13)17-10-12;1-18-14-11(7-10(8-16-14)13(15)19)12(17-18)9-5-3-2-4-6-9;1-17-13-11(7-10(8-15-13)14(18)19)12(16-17)9-5-3-2-4-6-9;1-13-10(11)7-9(12-13)8-5-3-2-4-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12;1-3-2;;;1-5(2,3)4;;/h2-11H,1H3,(H2,28,29,32,33);4-9H,3H2,1-2H3;4-11,17H,3,12H2,1-2H3;4-10H,3H2,1-2H3;2-8H,1H3,(H2,15,19);2-8H,1H3,(H,18,19);2-7H,11H2,1H3;7H,4-6H2,1-3H3;1-3H;3H2,1-2H3;2*1H4;;;1H2/q;;;;;;;;;;;;;+1;/p-1/b;;10-9-;;;;;;;;;;;;
InChIKeyKHUBIARCKDJJTN-PMGJQCNSSA-M
MW2741.42 g/mol
LogP25.58
Rot. Bonds29

About sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide

sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide (PubChem CID 159138371) has the molecular formula C131H133Cl4F8N25NaO21P and a molecular weight of 2741.42 g/mol. Its IUPAC name is sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide.

Molecular Properties

Compound Namesodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide
PubChem CID159138371
Molecular FormulaC131H133Cl4F8N25NaO21P
Molecular Weight2741.42 g/mol
Exact Mass2737.84
IUPAC Namesodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide
SMILESC.C.CCC.CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2C)c1Cl.CCOC(=O)c1cnc2c(c1)c(-c1ccccc1)nn2C.CCOC=C(C(=O)OCC)C(=O)OCC.CCOOCC1(/C=C\Nc2cc(-c3ccccc3)nn2C)OO1.Cn1nc(-c2ccccc2)c2cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc21.Cn1nc(-c2ccccc2)c2cc(C(=O)O)cnc21.Cn1nc(-c2ccccc2)c2cc(C(N)=O)cnc21.Cn1nc(-c2ccccc2)cc1N.O=C=Nc1ccc(F)c(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C22H15F4N5O2.C16H14ClN3O2.C16H19N3O4.C16H15N3O2.C14H12N4O.C14H11N3O2.C10H11N3.C10H16O5.C8H3F4NO.C3H8.2CH4.Cl3OP.Na.H2O/c1-31-19-15(18(30-31)12-5-3-2-4-6-12)9-13(11-27-19)20(32)29-21(33)28-14-7-8-17(23)16(10-14)22(24,25)26;1-3-22-16(21)11-9-18-15-12(13(11)17)14(19-20(15)2)10-7-5-4-6-8-10;1-3-20-21-12-16(22-23-16)9-10-17-15-11-14(18-19(15)2)13-7-5-4-6-8-13;1-3-21-16(20)12-9-13-14(11-7-5-4-6-8-11)18-19(2)15(13)17-10-12;1-18-14-11(7-10(8-16-14)13(15)19)12(17-18)9-5-3-2-4-6-9;1-17-13-11(7-10(8-15-13)14(18)19)12(16-17)9-5-3-2-4-6-9;1-13-10(11)7-9(12-13)8-5-3-2-4-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12;1-3-2;;;1-5(2,3)4;;/h2-11H,1H3,(H2,28,29,32,33);4-9H,3H2,1-2H3;4-11,17H,3,12H2,1-2H3;4-10H,3H2,1-2H3;2-8H,1H3,(H2,15,19);2-8H,1H3,(H,18,19);2-7H,11H2,1H3;7H,4-6H2,1-3H3;1-3H;3H2,1-2H3;2*1H4;;;1H2/q;;;;;;;;;;;;;+1;/p-1/b;;10-9-;;;;;;;;;;;;
InChIKeyKHUBIARCKDJJTN-PMGJQCNSSA-M
XLogP25.58
TPSA600.28 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002741.42
LogP ≤ 525.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide with MolForge

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Related Compounds

4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158195131
sodium;5-amino-1,3-dimethylpyrazole-4-carbaldehyde;ethyl 3-oxobutanoate;ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide;1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide;1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid;hydroxide
CID 160593679
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
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
lithium;1-(azidomethyl)-4-(bromomethyl)benzene;1-[1-[[4-(azidomethyl)phenyl]methyl]piperidin-4-yl]-N-(4-benzoylphenyl)-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;1-[1-[[4-(azidomethyl)phenyl]methyl]piperidin-4-yl]-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 1-[1-[[4-(azidomethyl)phenyl]methyl]piperidin-4-yl]-4-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
CID 158712882
lithium;N-(4-benzoylphenyl)-4-chloro-1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylate;4-ethynylbenzaldehyde;hydroxide
CID 161763239
lithium;4-amino-3-methylbutanenitrile;carbon dioxide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl (2Z)-2-[[[5-methyl-2-[(5-methyl-3-pyridinyl)methyl]pyrazol-3-yl]amino]methylidene]butanoate;methane;N-methoxy-N,5-dimethylpyridine-3-carboxamide;N-methoxymethanamine;5-methyl-2-[(5-methyl-3-pyridinyl)methyl]pyrazol-3-amine;5-methylpyridine-3-carbaldehyde;5-methylpyridine-3-carboxylic acid;phosphoryl trichloride;hydroxide
CID 161774096

Frequently Asked Questions

What is the IUPAC name of sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide?
The IUPAC name of sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide (CID 159138371) is sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide.
What is the SMILES notation for sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide?
The canonical SMILES for sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide is C.C.CCC.CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2C)c1Cl.CCOC(=O)c1cnc2c(c1)c(-c1ccccc1)nn2C.CCOC=C(C(=O)OCC)C(=O)OCC.CCOOCC1(/C=C\Nc2cc(-c3ccccc3)nn2C)OO1.Cn1nc(-c2ccccc2)c2cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc21.Cn1nc(-c2ccccc2)c2cc(C(=O)O)cnc21.Cn1nc(-c2ccccc2)c2cc(C(N)=O)cnc21.Cn1nc(-c2ccccc2)cc1N.O=C=Nc1ccc(F)c(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.[Na+].[OH-].
What is the InChIKey of sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide?
The InChIKey is KHUBIARCKDJJTN-PMGJQCNSSA-M. The full InChI is InChI=1S/C22H15F4N5O2.C16H14ClN3O2.C16H19N3O4.C16H15N3O2.C14H12N4O.C14H11N3O2.C10H11N3.C10H16O5.C8H3F4NO.C3H8.2CH4.Cl3OP.Na.H2O/c1-31-19-15(18(30-31)12-5-3-2-4-6-12)9-13(11-27-19)20(32)29-21(33)28-14-7-8-17(23)16(10-14)22(24,25)26;1-3-22-16(21)11-9-18-15-12(13(11)17)14(19-20(15)2)10-7-5-4-6-8-10;1-3-20-21-12-16(22-23-16)9-10-17-15-11-14(18-19(15)2)13-7-5-4-6-8-13;1-3-21-16(20)12-9-13-14(11-7-5-4-6-8-11)18-19(2)15(13)17-10-12;1-18-14-11(7-10(8-16-14)13(15)19)12(17-18)9-5-3-2-4-6-9;1-17-13-11(7-10(8-15-13)14(18)19)12(16-17)9-5-3-2-4-6-9;1-13-10(11)7-9(12-13)8-5-3-2-4-6-8;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12;1-3-2;;;1-5(2,3)4;;/h2-11H,1H3,(H2,28,29,32,33);4-9H,3H2,1-2H3;4-11,17H,3,12H2,1-2H3;4-10H,3H2,1-2H3;2-8H,1H3,(H2,15,19);2-8H,1H3,(H,18,19);2-7H,11H2,1H3;7H,4-6H2,1-3H3;1-3H;3H2,1-2H3;2*1H4;;;1H2/q;;;;;;;;;;;;;+1;/p-1/b;;10-9-;;;;;;;;;;;;.
What are the key properties of sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide?
sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide has a molecular weight of 2741.42 g/mol, XLogP of 25.58, 29 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diethyl 2-(ethoxymethylidene)propanedioate;ethyl 4-chloro-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylate;N-[(Z)-2-[3-(ethylperoxymethyl)dioxiran-3-yl]ethenyl]-1-methyl-3-phenylpyrazol-5-amine;1-fluoro-4-isocyanato-2-(trifluoromethyl)benzene;N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;methane;1-methyl-3-phenylpyrazol-5-amine;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxamide;1-methyl-3-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid;phosphoryl trichloride;propane;hydroxide is sourced from PubChem (CID 159138371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).