sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride

C190H216BCl7F8N13NaO28P2PdS4Si2 — CID 167623302

IUPACsodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride
SMILESC=C(O[Si](C)(C)C)c1cc(Cl)ccn1.CC(=O)c1cc(Cl)ccn1.CC(C)(C)S(=O)NC(CF)c1cc(Cl)ccn1.CC(C)(C)[S@@](N)=O.CCN(CC)CC.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(CF)N[S@@](=O)C(C)(C)C)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(N)CF)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2occc2c1.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cl.Cl[Pd]Cl.NC(CF)c1cc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)ccn1.O=C(CF)c1cc(Cl)ccn1.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H33FN2O5S.C26H25FN2O4.C25H29BO6.C24H21FN2O4.2C18H15P.C11H16ClFN2OS.C10H14ClNOSi.C7H5ClFNO.C7H6ClNO.C6H15N.C4H9F3O3SSi.C4H11NOS.3ClH.Na.H2O.Pd/c1-5-36-28(34)17-22-8-6-7-9-27(22)38-19-20-14-23-11-13-37-29(23)24(15-20)21-10-12-32-25(16-21)26(18-31)33-39(35)30(2,3)4;1-2-31-25(30)14-19-5-3-4-6-24(19)33-16-17-11-20-8-10-32-26(20)21(12-17)18-7-9-29-23(13-18)22(28)15-27;1-6-28-22(27)15-18-9-7-8-10-21(18)30-16-17-13-19-11-12-29-23(19)20(14-17)26-31-24(2,3)25(4,5)32-26;25-13-20(26)21-11-16(5-7-27-21)19-10-15(9-18-6-8-30-24(18)19)14-31-22-4-2-1-3-17(22)12-23(28)29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2,3)17(16)15-10(7-13)9-6-8(12)4-5-14-9;1-8(13-14(2,3)4)10-7-9(11)5-6-12-10;8-5-1-2-10-6(3-5)7(11)4-9;1-5(10)7-4-6(8)2-3-9-7;1-4-7(5-2)6-3;1-12(2,3)10-11(8,9)4(5,6)7;1-4(2,3)7(5)6;;;;;;/h6-16,26,33H,5,17-19H2,1-4H3;3-13,22H,2,14-16,28H2,1H3;7-14H,6,15-16H2,1-5H3;1-11,20H,12-14,26H2,(H,28,29);2*1-15H;4-6,10,15H,7H2,1-3H3;5-7H,1H2,2-4H3;1-3H,4H2;2-4H,1H3;4-6H2,1-3H3;1-3H3;5H2,1-3H3;3*1H;;1H2;/q;;;;;;;;;;;;;;;;+1;;+2/p-3/t26?,39-;;;;;;;;;;;;7-;;;;;;/m0...........0....../s1
InChIKeyIJPWWTVLPBFWFL-ROHOSSGDSA-K
MW3916.65 g/mol
LogP39.61
Rot. Bonds56

About sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride

sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride (PubChem CID 167623302) has the molecular formula C190H216BCl7F8N13NaO28P2PdS4Si2 and a molecular weight of 3916.65 g/mol. Its IUPAC name is sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride
PubChem CID167623302
Molecular FormulaC190H216BCl7F8N13NaO28P2PdS4Si2
Molecular Weight3916.65 g/mol
Exact Mass3910.05
IUPAC Namesodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride
SMILESC=C(O[Si](C)(C)C)c1cc(Cl)ccn1.CC(=O)c1cc(Cl)ccn1.CC(C)(C)S(=O)NC(CF)c1cc(Cl)ccn1.CC(C)(C)[S@@](N)=O.CCN(CC)CC.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(CF)N[S@@](=O)C(C)(C)C)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(N)CF)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2occc2c1.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cl.Cl[Pd]Cl.NC(CF)c1cc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)ccn1.O=C(CF)c1cc(Cl)ccn1.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H33FN2O5S.C26H25FN2O4.C25H29BO6.C24H21FN2O4.2C18H15P.C11H16ClFN2OS.C10H14ClNOSi.C7H5ClFNO.C7H6ClNO.C6H15N.C4H9F3O3SSi.C4H11NOS.3ClH.Na.H2O.Pd/c1-5-36-28(34)17-22-8-6-7-9-27(22)38-19-20-14-23-11-13-37-29(23)24(15-20)21-10-12-32-25(16-21)26(18-31)33-39(35)30(2,3)4;1-2-31-25(30)14-19-5-3-4-6-24(19)33-16-17-11-20-8-10-32-26(20)21(12-17)18-7-9-29-23(13-18)22(28)15-27;1-6-28-22(27)15-18-9-7-8-10-21(18)30-16-17-13-19-11-12-29-23(19)20(14-17)26-31-24(2,3)25(4,5)32-26;25-13-20(26)21-11-16(5-7-27-21)19-10-15(9-18-6-8-30-24(18)19)14-31-22-4-2-1-3-17(22)12-23(28)29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2,3)17(16)15-10(7-13)9-6-8(12)4-5-14-9;1-8(13-14(2,3)4)10-7-9(11)5-6-12-10;8-5-1-2-10-6(3-5)7(11)4-9;1-5(10)7-4-6(8)2-3-9-7;1-4-7(5-2)6-3;1-12(2,3)10-11(8,9)4(5,6)7;1-4(2,3)7(5)6;;;;;;/h6-16,26,33H,5,17-19H2,1-4H3;3-13,22H,2,14-16,28H2,1H3;7-14H,6,15-16H2,1-5H3;1-11,20H,12-14,26H2,(H,28,29);2*1-15H;4-6,10,15H,7H2,1-3H3;5-7H,1H2,2-4H3;1-3H,4H2;2-4H,1H3;4-6H2,1-3H3;1-3H3;5H2,1-3H3;3*1H;;1H2;/q;;;;;;;;;;;;;;;;+1;;+2/p-3/t26?,39-;;;;;;;;;;;;7-;;;;;;/m0...........0....../s1
InChIKeyIJPWWTVLPBFWFL-ROHOSSGDSA-K
XLogP39.61
TPSA587.68 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds56
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003916.65
LogP ≤ 539.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride?
The IUPAC name of sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride (CID 167623302) is sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride.
What is the SMILES notation for sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride?
The canonical SMILES for sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride is C=C(O[Si](C)(C)C)c1cc(Cl)ccn1.CC(=O)c1cc(Cl)ccn1.CC(C)(C)S(=O)NC(CF)c1cc(Cl)ccn1.CC(C)(C)[S@@](N)=O.CCN(CC)CC.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(CF)N[S@@](=O)C(C)(C)C)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(-c2ccnc(C(N)CF)c2)c2occc2c1.CCOC(=O)Cc1ccccc1OCc1cc(B2OC(C)(C)C(C)(C)O2)c2occc2c1.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cl.Cl[Pd]Cl.NC(CF)c1cc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)ccn1.O=C(CF)c1cc(Cl)ccn1.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride?
The InChIKey is IJPWWTVLPBFWFL-ROHOSSGDSA-K. The full InChI is InChI=1S/C30H33FN2O5S.C26H25FN2O4.C25H29BO6.C24H21FN2O4.2C18H15P.C11H16ClFN2OS.C10H14ClNOSi.C7H5ClFNO.C7H6ClNO.C6H15N.C4H9F3O3SSi.C4H11NOS.3ClH.Na.H2O.Pd/c1-5-36-28(34)17-22-8-6-7-9-27(22)38-19-20-14-23-11-13-37-29(23)24(15-20)21-10-12-32-25(16-21)26(18-31)33-39(35)30(2,3)4;1-2-31-25(30)14-19-5-3-4-6-24(19)33-16-17-11-20-8-10-32-26(20)21(12-17)18-7-9-29-23(13-18)22(28)15-27;1-6-28-22(27)15-18-9-7-8-10-21(18)30-16-17-13-19-11-12-29-23(19)20(14-17)26-31-24(2,3)25(4,5)32-26;25-13-20(26)21-11-16(5-7-27-21)19-10-15(9-18-6-8-30-24(18)19)14-31-22-4-2-1-3-17(22)12-23(28)29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2,3)17(16)15-10(7-13)9-6-8(12)4-5-14-9;1-8(13-14(2,3)4)10-7-9(11)5-6-12-10;8-5-1-2-10-6(3-5)7(11)4-9;1-5(10)7-4-6(8)2-3-9-7;1-4-7(5-2)6-3;1-12(2,3)10-11(8,9)4(5,6)7;1-4(2,3)7(5)6;;;;;;/h6-16,26,33H,5,17-19H2,1-4H3;3-13,22H,2,14-16,28H2,1H3;7-14H,6,15-16H2,1-5H3;1-11,20H,12-14,26H2,(H,28,29);2*1-15H;4-6,10,15H,7H2,1-3H3;5-7H,1H2,2-4H3;1-3H,4H2;2-4H,1H3;4-6H2,1-3H3;1-3H3;5H2,1-3H3;3*1H;;1H2;/q;;;;;;;;;;;;;;;;+1;;+2/p-3/t26?,39-;;;;;;;;;;;;7-;;;;;;/m0...........0....../s1.
What are the key properties of sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride?
sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride has a molecular weight of 3916.65 g/mol, XLogP of 39.61, 56 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid;1-(4-chloro-2-pyridinyl)ethanone;1-(4-chloro-2-pyridinyl)ethenoxy-trimethylsilane;1-(4-chloro-2-pyridinyl)-2-fluoroethanone;N-[1-(4-chloro-2-pyridinyl)-2-fluoroethyl]-2-methylpropane-2-sulfinamide;dichloropalladium;N,N-diethylethanamine;ethyl 2-[2-[[7-[2-(1-amino-2-fluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-[2-[1-[[(S)-tert-butylsulfinyl]amino]-2-fluoroethyl]-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate;ethyl 2-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate;(S)-2-methylpropane-2-sulfinamide;trimethylsilyl trifluoromethanesulfonate;bis(triphenylphosphane);hydroxide;hydrochloride is sourced from PubChem (CID 167623302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).