lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride

C154H153BrCl2LiN30NaO24S4Zn — CID 159882597

IUPAClithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride
SMILESCC(C)(C#N)c1cccc(C(=O)O)c1.CCOC(=O)CS.CCOC(=O)c1sc2nccnc2c1N.COC(=O)c1cccc(C(C)(C)C#N)c1.COC(=O)c1cccc(CBr)c1.COC(=O)c1cccc(CC#N)c1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1sc2nccnc2c1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1[N+](=O)[O-].Cl.N#Cc1nccnc1Cl.Nc1c(C(=O)O)sc2nccnc12.[C-]#N.[Li+].[Na+].[OH-].[Zn]
InChIInChI=1S/C25H22N6O2S.C18H17N3O3.2C18H19N3O.C12H13NO2.C11H11NO2.C10H9NO2.C9H9BrO2.C9H9N3O2S.C7H5N3O2S.C7H8N2O2.C5H2ClN3.C4H8O2S.CN.ClH.Li.Na.H2O.Zn/c1-14-7-8-17(30-22(32)15-5-4-6-16(11-15)25(2,3)13-26)12-18(14)31-23(33)21-19(27)20-24(34-21)29-10-9-28-20;1-12-7-8-15(10-16(12)21(23)24)20-17(22)13-5-4-6-14(9-13)18(2,3)11-19;2*1-12-7-8-15(10-16(12)20)21-17(22)13-5-4-6-14(9-13)18(2,3)11-19;1-12(2,8-13)10-6-4-5-9(7-10)11(14)15-3;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;1-13-10(12)9-4-2-3-8(7-9)5-6-11;1-12-9(11)8-4-2-3-7(5-8)6-10;1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6;8-3-4-6(10-2-1-9-4)13-5(3)7(11)12;1-5-2-3-6(8)4-7(5)9(10)11;6-5-4(3-7)8-1-2-9-5;1-2-6-4(5)3-7;1-2;;;;;/h4-12H,27H2,1-3H3,(H,30,32)(H,31,33);4-10H,1-3H3,(H,20,22);2*4-10H,20H2,1-3H3,(H,21,22);4-7H,1-3H3;3-6H,1-2H3,(H,13,14);2-4,7H,5H2,1H3;2-5H,6H2,1H3;3-4H,2,10H2,1H3;1-2H,8H2,(H,11,12);2-4H,8H2,1H3;1-2H;7H,2-3H2,1H3;;1H;;;1H2;/q;;;;;;;;;;;;;-1;;2*+1;;/p-1
InChIKeyKSTULRQTFZIBFC-UHFFFAOYSA-M
MW3182.50 g/mol
LogP24.21
Rot. Bonds29

About lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride

lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride (PubChem CID 159882597) has the molecular formula C154H153BrCl2LiN30NaO24S4Zn and a molecular weight of 3182.50 g/mol. Its IUPAC name is lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride
PubChem CID159882597
Molecular FormulaC154H153BrCl2LiN30NaO24S4Zn
Molecular Weight3182.50 g/mol
Exact Mass3176.85
IUPAC Namelithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride
SMILESCC(C)(C#N)c1cccc(C(=O)O)c1.CCOC(=O)CS.CCOC(=O)c1sc2nccnc2c1N.COC(=O)c1cccc(C(C)(C)C#N)c1.COC(=O)c1cccc(CBr)c1.COC(=O)c1cccc(CC#N)c1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1sc2nccnc2c1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1[N+](=O)[O-].Cl.N#Cc1nccnc1Cl.Nc1c(C(=O)O)sc2nccnc12.[C-]#N.[Li+].[Na+].[OH-].[Zn]
InChIInChI=1S/C25H22N6O2S.C18H17N3O3.2C18H19N3O.C12H13NO2.C11H11NO2.C10H9NO2.C9H9BrO2.C9H9N3O2S.C7H5N3O2S.C7H8N2O2.C5H2ClN3.C4H8O2S.CN.ClH.Li.Na.H2O.Zn/c1-14-7-8-17(30-22(32)15-5-4-6-16(11-15)25(2,3)13-26)12-18(14)31-23(33)21-19(27)20-24(34-21)29-10-9-28-20;1-12-7-8-15(10-16(12)21(23)24)20-17(22)13-5-4-6-14(9-13)18(2,3)11-19;2*1-12-7-8-15(10-16(12)20)21-17(22)13-5-4-6-14(9-13)18(2,3)11-19;1-12(2,8-13)10-6-4-5-9(7-10)11(14)15-3;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;1-13-10(12)9-4-2-3-8(7-9)5-6-11;1-12-9(11)8-4-2-3-7(5-8)6-10;1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6;8-3-4-6(10-2-1-9-4)13-5(3)7(11)12;1-5-2-3-6(8)4-7(5)9(10)11;6-5-4(3-7)8-1-2-9-5;1-2-6-4(5)3-7;1-2;;;;;/h4-12H,27H2,1-3H3,(H,30,32)(H,31,33);4-10H,1-3H3,(H,20,22);2*4-10H,20H2,1-3H3,(H,21,22);4-7H,1-3H3;3-6H,1-2H3,(H,13,14);2-4,7H,5H2,1H3;2-5H,6H2,1H3;3-4H,2,10H2,1H3;1-2H,8H2,(H,11,12);2-4H,8H2,1H3;1-2H;7H,2-3H2,1H3;;1H;;;1H2;/q;;;;;;;;;;;;;-1;;2*+1;;/p-1
InChIKeyKSTULRQTFZIBFC-UHFFFAOYSA-M
XLogP24.21
TPSA941.23 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds29
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003182.50
LogP ≤ 524.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride with MolForge

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Related Compounds

tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid
CID 157058808
2-(5-amino-2-methylanilino)-2-thieno[2,3-b]pyrazin-6-ylacetonitrile;3-(2-cyanopropan-2-yl)benzoic acid;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboximidoyl chloride;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboximidoyl cyanide;thieno[2,3-b]pyrazine-6-carboxylic acid
CID 157098722
2-chloro-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid;methyl 5-chloro-4-nitrothiophene-2-carboxylate;methyl 2-chlorothieno[2,3-b]pyrazine-6-carboxylate;methyl 5-[(2-ethoxy-2-oxoethyl)amino]-4-nitrothiophene-2-carboxylate;methyl 5-oxo-6,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxylate;methyl 5-oxo-4H-thieno[2,3-b]pyridine-2-carboxylate
CID 159174046
N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride
CID 161475976
N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;7-bromo-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate;hydrochloride
CID 162091298

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride?
The IUPAC name of lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride (CID 159882597) is lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride.
What is the SMILES notation for lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride?
The canonical SMILES for lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride is CC(C)(C#N)c1cccc(C(=O)O)c1.CCOC(=O)CS.CCOC(=O)c1sc2nccnc2c1N.COC(=O)c1cccc(C(C)(C)C#N)c1.COC(=O)c1cccc(CBr)c1.COC(=O)c1cccc(CC#N)c1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NC(=O)c1sc2nccnc2c1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1[N+](=O)[O-].Cl.N#Cc1nccnc1Cl.Nc1c(C(=O)O)sc2nccnc12.[C-]#N.[Li+].[Na+].[OH-].[Zn].
What is the InChIKey of lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride?
The InChIKey is KSTULRQTFZIBFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22N6O2S.C18H17N3O3.2C18H19N3O.C12H13NO2.C11H11NO2.C10H9NO2.C9H9BrO2.C9H9N3O2S.C7H5N3O2S.C7H8N2O2.C5H2ClN3.C4H8O2S.CN.ClH.Li.Na.H2O.Zn/c1-14-7-8-17(30-22(32)15-5-4-6-16(11-15)25(2,3)13-26)12-18(14)31-23(33)21-19(27)20-24(34-21)29-10-9-28-20;1-12-7-8-15(10-16(12)21(23)24)20-17(22)13-5-4-6-14(9-13)18(2,3)11-19;2*1-12-7-8-15(10-16(12)20)21-17(22)13-5-4-6-14(9-13)18(2,3)11-19;1-12(2,8-13)10-6-4-5-9(7-10)11(14)15-3;1-11(2,7-12)9-5-3-4-8(6-9)10(13)14;1-13-10(12)9-4-2-3-8(7-9)5-6-11;1-12-9(11)8-4-2-3-7(5-8)6-10;1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6;8-3-4-6(10-2-1-9-4)13-5(3)7(11)12;1-5-2-3-6(8)4-7(5)9(10)11;6-5-4(3-7)8-1-2-9-5;1-2-6-4(5)3-7;1-2;;;;;/h4-12H,27H2,1-3H3,(H,30,32)(H,31,33);4-10H,1-3H3,(H,20,22);2*4-10H,20H2,1-3H3,(H,21,22);4-7H,1-3H3;3-6H,1-2H3,(H,13,14);2-4,7H,5H2,1H3;2-5H,6H2,1H3;3-4H,2,10H2,1H3;1-2H,8H2,(H,11,12);2-4H,8H2,1H3;1-2H;7H,2-3H2,1H3;;1H;;;1H2;/q;;;;;;;;;;;;;-1;;2*+1;;/p-1.
What are the key properties of lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride?
lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride has a molecular weight of 3182.50 g/mol, XLogP of 24.21, 29 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;7-amino-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;bis(N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide);7-aminothieno[2,3-b]pyrazine-6-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-(2-cyanopropan-2-yl)benzoic acid;3-(2-cyanopropan-2-yl)-N-(4-methyl-3-nitrophenyl)benzamide;ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate;ethyl 2-sulfanylacetate;methyl 3-(bromomethyl)benzoate;methyl 3-(cyanomethyl)benzoate;methyl 3-(2-cyanopropan-2-yl)benzoate;4-methyl-3-nitroaniline;zinc;cyanide;hydroxide;hydrochloride is sourced from PubChem (CID 159882597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).