sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide

C191H197B3Br3ClF30IN24NaO30S — CID 158336816

IUPACsodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide
SMILESC#CCCO.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)c3oc(CCO)cc3c2)OC1(C)C.CCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.CO.CS(=O)(=O)Cl.Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc2cc(CCNC(=O)/C=C/c3ccc(N)nc3)oc12.Cc1cc(Br)cc(I)c1O.NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.Nc1ccc(/C=C/C(=O)O)cn1.O=C(c1ccc(-c2cc(C(F)(F)F)c3oc(CCO)cc3c2)nc1)N1CCC(F)(F)CC1.O=C(c1ccc(Br)nc1)N1CCC(F)(F)CC1.OCCc1cc2cc(Br)cc(C(F)(F)F)c2o1.[N-]=[N+]=NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C30H29F2N5O3.C23H21F5N2O2.C22H18F5N5O2.C22H20F5N3O2.C22H19F5N2O3.C17H20BF3O4.C12H24B2O4.C11H8BrF3O2.C11H11BrF2N2O.C8H8N2O2.C7H6BrIO.C4H6O.CH3ClO2S.CH4O.N3.Na/c1-19-14-22(25-5-4-21(18-35-25)29(39)37-12-9-30(31,32)10-13-37)15-23-16-24(40-28(19)23)8-11-34-27(38)7-3-20-2-6-26(33)36-17-20;1-2-3-17-11-16-10-15(12-18(20(16)32-17)23(26,27)28)19-5-4-14(13-29-19)21(31)30-8-6-22(24,25)7-9-30;23-21(24)4-7-32(8-5-21)20(33)13-1-2-18(29-12-13)14-9-15-10-16(3-6-30-31-28)34-19(15)17(11-14)22(25,26)27;23-21(24)4-7-30(8-5-21)20(31)13-1-2-18(29-12-13)14-9-15-10-16(3-6-28)32-19(15)17(11-14)22(25,26)27;23-21(24)4-6-29(7-5-21)20(31)13-1-2-18(28-12-13)14-9-15-10-16(3-8-30)32-19(15)17(11-14)22(25,26)27;1-15(2)16(3,4)25-18(24-15)11-7-10-8-12(5-6-22)23-14(10)13(9-11)17(19,20)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-7-3-6-4-8(1-2-16)17-10(6)9(5-7)11(13,14)15;12-9-2-1-8(7-15-9)10(17)16-5-3-11(13,14)4-6-16;9-7-3-1-6(5-10-7)2-4-8(11)12;1-4-2-5(8)3-6(9)7(4)10;1-2-3-4-5;1-5(2,3)4;1-2;1-3-2;/h2-7,14-18H,8-13H2,1H3,(H2,33,36)(H,34,38);4-5,10-13H,2-3,6-9H2,1H3;1-2,9-12H,3-8H2;1-2,9-12H,3-8,28H2;1-2,9-12,30H,3-8H2;7-9,22H,5-6H2,1-4H3;1-8H3;3-5,16H,1-2H2;1-2,7H,3-6H2;1-5H,(H2,9,10)(H,11,12);2-3,10H,1H3;1,5H,3-4H2;1H3;2H,1H3;;/q;;;;;;;;;;;;;;-1;+1/b7-3+;;;;;;;;;4-2+;;;;;;
InChIKeySBAMOKJUBFHWRC-NFSRKABASA-N
MW4368.32 g/mol
LogP40.90
Rot. Bonds34

About sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide

sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide (PubChem CID 158336816) has the molecular formula C191H197B3Br3ClF30IN24NaO30S and a molecular weight of 4368.32 g/mol. Its IUPAC name is sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide.

Molecular Properties

Compound Namesodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide
PubChem CID158336816
Molecular FormulaC191H197B3Br3ClF30IN24NaO30S
Molecular Weight4368.32 g/mol
Exact Mass4363.03
IUPAC Namesodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide
SMILESC#CCCO.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)c3oc(CCO)cc3c2)OC1(C)C.CCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.CO.CS(=O)(=O)Cl.Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc2cc(CCNC(=O)/C=C/c3ccc(N)nc3)oc12.Cc1cc(Br)cc(I)c1O.NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.Nc1ccc(/C=C/C(=O)O)cn1.O=C(c1ccc(-c2cc(C(F)(F)F)c3oc(CCO)cc3c2)nc1)N1CCC(F)(F)CC1.O=C(c1ccc(Br)nc1)N1CCC(F)(F)CC1.OCCc1cc2cc(Br)cc(C(F)(F)F)c2o1.[N-]=[N+]=NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C30H29F2N5O3.C23H21F5N2O2.C22H18F5N5O2.C22H20F5N3O2.C22H19F5N2O3.C17H20BF3O4.C12H24B2O4.C11H8BrF3O2.C11H11BrF2N2O.C8H8N2O2.C7H6BrIO.C4H6O.CH3ClO2S.CH4O.N3.Na/c1-19-14-22(25-5-4-21(18-35-25)29(39)37-12-9-30(31,32)10-13-37)15-23-16-24(40-28(19)23)8-11-34-27(38)7-3-20-2-6-26(33)36-17-20;1-2-3-17-11-16-10-15(12-18(20(16)32-17)23(26,27)28)19-5-4-14(13-29-19)21(31)30-8-6-22(24,25)7-9-30;23-21(24)4-7-32(8-5-21)20(33)13-1-2-18(29-12-13)14-9-15-10-16(3-6-30-31-28)34-19(15)17(11-14)22(25,26)27;23-21(24)4-7-30(8-5-21)20(31)13-1-2-18(29-12-13)14-9-15-10-16(3-6-28)32-19(15)17(11-14)22(25,26)27;23-21(24)4-6-29(7-5-21)20(31)13-1-2-18(28-12-13)14-9-15-10-16(3-8-30)32-19(15)17(11-14)22(25,26)27;1-15(2)16(3,4)25-18(24-15)11-7-10-8-12(5-6-22)23-14(10)13(9-11)17(19,20)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-7-3-6-4-8(1-2-16)17-10(6)9(5-7)11(13,14)15;12-9-2-1-8(7-15-9)10(17)16-5-3-11(13,14)4-6-16;9-7-3-1-6(5-10-7)2-4-8(11)12;1-4-2-5(8)3-6(9)7(4)10;1-2-3-4-5;1-5(2,3)4;1-2;1-3-2;/h2-7,14-18H,8-13H2,1H3,(H2,33,36)(H,34,38);4-5,10-13H,2-3,6-9H2,1H3;1-2,9-12H,3-8H2;1-2,9-12H,3-8,28H2;1-2,9-12,30H,3-8H2;7-9,22H,5-6H2,1-4H3;1-8H3;3-5,16H,1-2H2;1-2,7H,3-6H2;1-5H,(H2,9,10)(H,11,12);2-3,10H,1H3;1,5H,3-4H2;1H3;2H,1H3;;/q;;;;;;;;;;;;;;-1;+1/b7-3+;;;;;;;;;4-2+;;;;;;
InChIKeySBAMOKJUBFHWRC-NFSRKABASA-N
XLogP40.90
TPSA779.78 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004368.32
LogP ≤ 540.90
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide with MolForge

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Launch Full Analysis

Related Compounds

[6-[2-(2-aminoethyl)-7-methyl-1-benzothiophen-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;5-bromo-2-methyl-7-(trifluoromethyl)-1-benzothiophene;[6-[2-(bromomethyl)-7-(trifluoromethyl)-1-benzothiophen-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-(isocyanomethyl)-7-methyl-1-benzothiophen-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-methyl-7-(trifluoromethyl)-1-benzothiophen-5-yl]-3-pyridinyl]methanone;methanol;tetrachloromethane;4,4,5,5-tetramethyl-2-[2-methyl-7-(trifluoromethyl)-1-benzothiophen-5-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160932063
sodium;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;tert-butyl N-prop-2-ynylcarbamate;5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-ethyl-1-benzofuran-7-carbohydrazide;ethanol;hydrazine;methane;methyl 5-bromo-2-ethyl-1-benzofuran-7-carboxylate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-hydroxy-3-iodobenzoate;methyl 5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-ethyl-1-benzofuran-7-carboxylate;methyl 2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-7-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;iodide
CID 159638301
(E)-3-(6-amino-3-pyridinyl)-N-[[5-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 86764350
lithium;(E)-1-(3-aminoisoquinolin-7-yl)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(3-aminoisoquinolin-7-yl)prop-2-enoic acid;[6-[2-(aminomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;7-bromoisoquinolin-3-amine;bis(ethyl (E)-3-(3-aminoisoquinolin-7-yl)prop-2-enoate);ethyl prop-2-enoate;hydroxide
CID 161054179
(E)-3-(6-amino-3-pyridinyl)-N-[[5-[5-(piperazine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 86764130
(E)-1-(6-amino-3-pyridinyl)-5-[7-chloro-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]pent-1-en-3-one
CID 160967384
(E)-3-(6-amino-3-pyridinyl)-N-[[5-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]prop-2-enamide
CID 121428145
3-(6-amino-3-pyridinyl)-N-[[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-6,7-difluoro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123550292
3-(6-amino-3-pyridinyl)-N-[[5-[4-(4-chloropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123622260
4-[2-[2-[[3-(6-amino-3-pyridinyl)prop-2-enoylamino]methyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]pyrimidine-5-carbonyl]piperazine-1-carboxylic acid
CID 151905437
(E)-1-(6-amino-3-pyridinyl)-5-[5-[5-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]pent-1-en-3-one
CID 158347806
3-(6-amino-3-pyridinyl)-N-[[7-methyl-5-[4-(piperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123612711

Frequently Asked Questions

What is the IUPAC name of sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide?
The IUPAC name of sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide (CID 158336816) is sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide.
What is the SMILES notation for sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide?
The canonical SMILES for sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide is C#CCCO.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)c3oc(CCO)cc3c2)OC1(C)C.CCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.CO.CS(=O)(=O)Cl.Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)cc2cc(CCNC(=O)/C=C/c3ccc(N)nc3)oc12.Cc1cc(Br)cc(I)c1O.NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.Nc1ccc(/C=C/C(=O)O)cn1.O=C(c1ccc(-c2cc(C(F)(F)F)c3oc(CCO)cc3c2)nc1)N1CCC(F)(F)CC1.O=C(c1ccc(Br)nc1)N1CCC(F)(F)CC1.OCCc1cc2cc(Br)cc(C(F)(F)F)c2o1.[N-]=[N+]=NCCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc(C(F)(F)F)c2o1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide?
The InChIKey is SBAMOKJUBFHWRC-NFSRKABASA-N. The full InChI is InChI=1S/C30H29F2N5O3.C23H21F5N2O2.C22H18F5N5O2.C22H20F5N3O2.C22H19F5N2O3.C17H20BF3O4.C12H24B2O4.C11H8BrF3O2.C11H11BrF2N2O.C8H8N2O2.C7H6BrIO.C4H6O.CH3ClO2S.CH4O.N3.Na/c1-19-14-22(25-5-4-21(18-35-25)29(39)37-12-9-30(31,32)10-13-37)15-23-16-24(40-28(19)23)8-11-34-27(38)7-3-20-2-6-26(33)36-17-20;1-2-3-17-11-16-10-15(12-18(20(16)32-17)23(26,27)28)19-5-4-14(13-29-19)21(31)30-8-6-22(24,25)7-9-30;23-21(24)4-7-32(8-5-21)20(33)13-1-2-18(29-12-13)14-9-15-10-16(3-6-30-31-28)34-19(15)17(11-14)22(25,26)27;23-21(24)4-7-30(8-5-21)20(31)13-1-2-18(29-12-13)14-9-15-10-16(3-6-28)32-19(15)17(11-14)22(25,26)27;23-21(24)4-6-29(7-5-21)20(31)13-1-2-18(28-12-13)14-9-15-10-16(3-8-30)32-19(15)17(11-14)22(25,26)27;1-15(2)16(3,4)25-18(24-15)11-7-10-8-12(5-6-22)23-14(10)13(9-11)17(19,20)21;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-7-3-6-4-8(1-2-16)17-10(6)9(5-7)11(13,14)15;12-9-2-1-8(7-15-9)10(17)16-5-3-11(13,14)4-6-16;9-7-3-1-6(5-10-7)2-4-8(11)12;1-4-2-5(8)3-6(9)7(4)10;1-2-3-4-5;1-5(2,3)4;1-2;1-3-2;/h2-7,14-18H,8-13H2,1H3,(H2,33,36)(H,34,38);4-5,10-13H,2-3,6-9H2,1H3;1-2,9-12H,3-8H2;1-2,9-12H,3-8,28H2;1-2,9-12,30H,3-8H2;7-9,22H,5-6H2,1-4H3;1-8H3;3-5,16H,1-2H2;1-2,7H,3-6H2;1-5H,(H2,9,10)(H,11,12);2-3,10H,1H3;1,5H,3-4H2;1H3;2H,1H3;;/q;;;;;;;;;;;;;;-1;+1/b7-3+;;;;;;;;;4-2+;;;;;;.
What are the key properties of sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide?
sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide has a molecular weight of 4368.32 g/mol, XLogP of 40.90, 34 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[6-[2-(2-aminoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-methyl-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)prop-2-enoic acid;[6-[2-(2-azidoethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;4-bromo-2-iodo-6-methylphenol;(6-bromo-3-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone;2-[5-bromo-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;but-3-yn-1-ol;(4,4-difluoropiperidin-1-yl)-[6-[2-(2-hydroxyethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;(4,4-difluoropiperidin-1-yl)-[6-[2-propyl-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone;methanesulfonyl chloride;methanol;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)-1-benzofuran-2-yl]ethanol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;azide is sourced from PubChem (CID 158336816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).