dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate

C143H184ClF8K2N30NaO34 — CID 167646645

IUPACdipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate
SMILESCC(C)(C)OC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3OCC2C1.CC(C)(C)OC(=O)N1CCNC(CO)C1.CCOC(C)=O.CCOc1cc(N)ccc1N1CCN(c2ncc(F)cn2)CC1.CCOc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(F)cn2)CC1.CO.COCCOCCOC.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1C.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc3c(c2)OCC2CN(c4ncc(F)cn4)CCN32)n1C.NN1CCN(c2ccc([N+](=O)[O-])cc2F)C(CO)C1.O=CO[O-].O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc2c(c1)OCC1CNCCN21.[2H]CF.[2H]CF.[H-].[H-].[K+].[K+].[Na+]
InChIInChI=1S/C29H27FN6O3.C16H18FN5O3.C16H20FN5O.C16H21N3O5.C14H12ClNO2.C11H15FN4O3.C11H13N3O3.C10H20N2O3.C6H3F2NO2.C6H14O3.C4H8O2.2CH3F.CH2O3.CH4O.2K.Na.2H/c1-18-12-23(19-6-4-3-5-7-19)26(34(18)2)27(37)28(38)33-21-8-9-24-25(13-21)39-17-22-16-35(10-11-36(22)24)29-31-14-20(30)15-32-29;1-2-25-15-9-13(22(23)24)3-4-14(15)20-5-7-21(8-6-20)16-18-10-12(17)11-19-16;1-2-23-15-9-13(18)3-4-14(15)21-5-7-22(8-6-21)16-19-10-12(17)11-20-16;1-16(2,3)24-15(20)17-6-7-18-12(9-17)10-23-14-8-11(19(21)22)4-5-13(14)18;1-9-8-11(10-6-4-3-5-7-10)12(16(9)2)13(17)14(15)18;12-10-5-8(16(18)19)1-2-11(10)15-4-3-14(13)6-9(15)7-17;15-14(16)8-1-2-10-11(5-8)17-7-9-6-12-3-4-13(9)10;1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13;7-5-2-1-4(9(10)11)3-6(5)8;1-7-3-5-9-6-4-8-2;1-3-6-4(2)5;2*1-2;2-1-4-3;1-2;;;;;/h3-9,12-15,22H,10-11,16-17H2,1-2H3,(H,33,38);3-4,9-11H,2,5-8H2,1H3;3-4,9-11H,2,5-8,18H2,1H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-8H,1-2H3;1-2,5,9,17H,3-4,6-7,13H2;1-2,5,9,12H,3-4,6-7H2;8,11,13H,4-7H2,1-3H3;1-3H;3-6H2,1-2H3;3H2,1-2H3;2*1H3;1,3H;2H,1H3;;;;;/q;;;;;;;;;;;;;;;3*+1;2*-1/p-1/i;;;;;;;;;;;2*1D;;;;;;;
InChIKeyNWMCXMDKIJEHMT-LHDAZRBHSA-M
MW3157.86 g/mol
LogP7.61
Rot. Bonds32

About dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate

dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate (PubChem CID 167646645) has the molecular formula C143H184ClF8K2N30NaO34 and a molecular weight of 3157.86 g/mol. Its IUPAC name is dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate.

Molecular Properties

Compound Namedipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate
PubChem CID167646645
Molecular FormulaC143H184ClF8K2N30NaO34
Molecular Weight3157.86 g/mol
Exact Mass3155.24
IUPAC Namedipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate
SMILESCC(C)(C)OC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3OCC2C1.CC(C)(C)OC(=O)N1CCNC(CO)C1.CCOC(C)=O.CCOc1cc(N)ccc1N1CCN(c2ncc(F)cn2)CC1.CCOc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(F)cn2)CC1.CO.COCCOCCOC.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1C.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc3c(c2)OCC2CN(c4ncc(F)cn4)CCN32)n1C.NN1CCN(c2ccc([N+](=O)[O-])cc2F)C(CO)C1.O=CO[O-].O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc2c(c1)OCC1CNCCN21.[2H]CF.[2H]CF.[H-].[H-].[K+].[K+].[Na+]
InChIInChI=1S/C29H27FN6O3.C16H18FN5O3.C16H20FN5O.C16H21N3O5.C14H12ClNO2.C11H15FN4O3.C11H13N3O3.C10H20N2O3.C6H3F2NO2.C6H14O3.C4H8O2.2CH3F.CH2O3.CH4O.2K.Na.2H/c1-18-12-23(19-6-4-3-5-7-19)26(34(18)2)27(37)28(38)33-21-8-9-24-25(13-21)39-17-22-16-35(10-11-36(22)24)29-31-14-20(30)15-32-29;1-2-25-15-9-13(22(23)24)3-4-14(15)20-5-7-21(8-6-20)16-18-10-12(17)11-19-16;1-2-23-15-9-13(18)3-4-14(15)21-5-7-22(8-6-21)16-19-10-12(17)11-20-16;1-16(2,3)24-15(20)17-6-7-18-12(9-17)10-23-14-8-11(19(21)22)4-5-13(14)18;1-9-8-11(10-6-4-3-5-7-10)12(16(9)2)13(17)14(15)18;12-10-5-8(16(18)19)1-2-11(10)15-4-3-14(13)6-9(15)7-17;15-14(16)8-1-2-10-11(5-8)17-7-9-6-12-3-4-13(9)10;1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13;7-5-2-1-4(9(10)11)3-6(5)8;1-7-3-5-9-6-4-8-2;1-3-6-4(2)5;2*1-2;2-1-4-3;1-2;;;;;/h3-9,12-15,22H,10-11,16-17H2,1-2H3,(H,33,38);3-4,9-11H,2,5-8H2,1H3;3-4,9-11H,2,5-8,18H2,1H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-8H,1-2H3;1-2,5,9,17H,3-4,6-7,13H2;1-2,5,9,12H,3-4,6-7H2;8,11,13H,4-7H2,1-3H3;1-3H;3-6H2,1-2H3;3H2,1-2H3;2*1H3;1,3H;2H,1H3;;;;;/q;;;;;;;;;;;;;;;3*+1;2*-1/p-1/i;;;;;;;;;;;2*1D;;;;;;;
InChIKeyNWMCXMDKIJEHMT-LHDAZRBHSA-M
XLogP7.61
TPSA760.98 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds32
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003157.86
LogP ≤ 57.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate?
The IUPAC name of dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate (CID 167646645) is dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate.
What is the SMILES notation for dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate?
The canonical SMILES for dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate is CC(C)(C)OC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3OCC2C1.CC(C)(C)OC(=O)N1CCNC(CO)C1.CCOC(C)=O.CCOc1cc(N)ccc1N1CCN(c2ncc(F)cn2)CC1.CCOc1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(F)cn2)CC1.CO.COCCOCCOC.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Cl)n1C.Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc3c(c2)OCC2CN(c4ncc(F)cn4)CCN32)n1C.NN1CCN(c2ccc([N+](=O)[O-])cc2F)C(CO)C1.O=CO[O-].O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc2c(c1)OCC1CNCCN21.[2H]CF.[2H]CF.[H-].[H-].[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate?
The InChIKey is NWMCXMDKIJEHMT-LHDAZRBHSA-M. The full InChI is InChI=1S/C29H27FN6O3.C16H18FN5O3.C16H20FN5O.C16H21N3O5.C14H12ClNO2.C11H15FN4O3.C11H13N3O3.C10H20N2O3.C6H3F2NO2.C6H14O3.C4H8O2.2CH3F.CH2O3.CH4O.2K.Na.2H/c1-18-12-23(19-6-4-3-5-7-19)26(34(18)2)27(37)28(38)33-21-8-9-24-25(13-21)39-17-22-16-35(10-11-36(22)24)29-31-14-20(30)15-32-29;1-2-25-15-9-13(22(23)24)3-4-14(15)20-5-7-21(8-6-20)16-18-10-12(17)11-19-16;1-2-23-15-9-13(18)3-4-14(15)21-5-7-22(8-6-21)16-19-10-12(17)11-20-16;1-16(2,3)24-15(20)17-6-7-18-12(9-17)10-23-14-8-11(19(21)22)4-5-13(14)18;1-9-8-11(10-6-4-3-5-7-10)12(16(9)2)13(17)14(15)18;12-10-5-8(16(18)19)1-2-11(10)15-4-3-14(13)6-9(15)7-17;15-14(16)8-1-2-10-11(5-8)17-7-9-6-12-3-4-13(9)10;1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13;7-5-2-1-4(9(10)11)3-6(5)8;1-7-3-5-9-6-4-8-2;1-3-6-4(2)5;2*1-2;2-1-4-3;1-2;;;;;/h3-9,12-15,22H,10-11,16-17H2,1-2H3,(H,33,38);3-4,9-11H,2,5-8H2,1H3;3-4,9-11H,2,5-8,18H2,1H3;4-5,8,12H,6-7,9-10H2,1-3H3;3-8H,1-2H3;1-2,5,9,17H,3-4,6-7,13H2;1-2,5,9,12H,3-4,6-7H2;8,11,13H,4-7H2,1-3H3;1-3H;3-6H2,1-2H3;3H2,1-2H3;2*1H3;1,3H;2H,1H3;;;;;/q;;;;;;;;;;;;;;;3*+1;2*-1/p-1/i;;;;;;;;;;;2*1D;;;;;;;.
What are the key properties of dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate?
dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate has a molecular weight of 3157.86 g/mol, XLogP of 7.61, 32 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;[4-amino-1-(2-fluoro-4-nitrophenyl)piperazin-2-yl]methanol;tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate;tert-butyl 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylate;deuterio(fluoro)methane;1,2-difluoro-4-nitrobenzene;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-(5-fluoropyrimidin-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]-2-oxoacetamide;2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-2-oxoacetyl chloride;3-ethoxy-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]aniline;2-[4-(2-ethoxy-4-nitrophenyl)piperazin-1-yl]-5-fluoropyrimidine;ethyl acetate;hydride;methanol;1-methoxy-2-(2-methoxyethoxy)ethane;8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;oxido formate is sourced from PubChem (CID 167646645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).