(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one

C169H147Cl5F7N21O25S2 — CID 158475938

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one
SMILESNc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CC(F)C5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4cncc(C(=O)N5CCOCC5)c4)cc(Cl)c3o2)cn1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1.O=C(/C=C/c1ccncc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1
InChIInChI=1S/C30H24ClF3N2O4.C29H27ClN4O4.C29H25ClN2O4.C28H25F3N4O5S.C27H24ClN5O4.C26H22ClFN4O4S/c31-26-17-22(20-3-5-21(6-4-20)29(38)36-11-13-39-14-12-36)15-23-16-25(40-28(23)26)9-8-24(37)7-1-19-2-10-27(35-18-19)30(32,33)34;30-25-17-22(20-3-5-21(6-4-20)29(36)34-11-13-37-14-12-34)15-23-16-24(38-28(23)25)9-10-32-27(35)8-2-19-1-7-26(31)33-18-19;30-27-19-23(21-2-4-22(5-3-21)29(34)32-13-15-35-16-14-32)17-24-18-26(36-28(24)27)8-7-25(33)6-1-20-9-11-31-12-10-20;29-28(30,31)24-15-20(19-3-5-23(6-4-19)41(37,38)35-9-11-39-12-10-35)13-21-14-22(40-27(21)24)17-34-26(36)8-2-18-1-7-25(32)33-16-18;28-23-12-18(20-10-21(15-30-14-20)27(35)33-5-7-36-8-6-33)9-19-11-22(37-26(19)23)16-32-25(34)4-2-17-1-3-24(29)31-13-17;27-23-11-18(17-3-5-22(6-4-17)37(34,35)32-14-20(28)15-32)9-19-10-21(36-26(19)23)13-31-25(33)8-2-16-1-7-24(29)30-12-16/h1-7,10,15-18H,8-9,11-14H2;1-8,15-18H,9-14H2,(H2,31,33)(H,32,35);1-6,9-12,17-19H,7-8,13-16H2;1-8,13-16H,9-12,17H2,(H2,32,33)(H,34,36);1-4,9-15H,5-8,16H2,(H2,29,31)(H,32,34);1-12,20H,13-15H2,(H2,29,30)(H,31,33)/b7-1+;8-2+;6-1+;8-2+;4-2+;8-2+
InChIKeyHGXWSYFLDLFYLV-QQWHXGEFSA-N
MW3246.54 g/mol
LogP30.04
Rot. Bonds41

About (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one

(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one (PubChem CID 158475938) has the molecular formula C169H147Cl5F7N21O25S2 and a molecular weight of 3246.54 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one
PubChem CID158475938
Molecular FormulaC169H147Cl5F7N21O25S2
Molecular Weight3246.54 g/mol
Exact Mass3241.86
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one
SMILESNc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CC(F)C5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4cncc(C(=O)N5CCOCC5)c4)cc(Cl)c3o2)cn1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1.O=C(/C=C/c1ccncc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1
InChIInChI=1S/C30H24ClF3N2O4.C29H27ClN4O4.C29H25ClN2O4.C28H25F3N4O5S.C27H24ClN5O4.C26H22ClFN4O4S/c31-26-17-22(20-3-5-21(6-4-20)29(38)36-11-13-39-14-12-36)15-23-16-25(40-28(23)26)9-8-24(37)7-1-19-2-10-27(35-18-19)30(32,33)34;30-25-17-22(20-3-5-21(6-4-20)29(36)34-11-13-37-14-12-34)15-23-16-24(38-28(23)25)9-10-32-27(35)8-2-19-1-7-26(31)33-18-19;30-27-19-23(21-2-4-22(5-3-21)29(34)32-13-15-35-16-14-32)17-24-18-26(36-28(24)27)8-7-25(33)6-1-20-9-11-31-12-10-20;29-28(30,31)24-15-20(19-3-5-23(6-4-19)41(37,38)35-9-11-39-12-10-35)13-21-14-22(40-27(21)24)17-34-26(36)8-2-18-1-7-25(32)33-16-18;28-23-12-18(20-10-21(15-30-14-20)27(35)33-5-7-36-8-6-33)9-19-11-22(37-26(19)23)16-32-25(34)4-2-17-1-3-24(29)31-13-17;27-23-11-18(17-3-5-22(6-4-17)37(34,35)32-14-20(28)15-32)9-19-10-21(36-26(19)23)13-31-25(33)8-2-16-1-7-24(29)30-12-16/h1-7,10,15-18H,8-9,11-14H2;1-8,15-18H,9-14H2,(H2,31,33)(H,32,35);1-6,9-12,17-19H,7-8,13-16H2;1-8,13-16H,9-12,17H2,(H2,32,33)(H,34,36);1-4,9-15H,5-8,16H2,(H2,29,31)(H,32,34);1-12,20H,13-15H2,(H2,29,30)(H,31,33)/b7-1+;8-2+;6-1+;8-2+;4-2+;8-2+
InChIKeyHGXWSYFLDLFYLV-QQWHXGEFSA-N
XLogP30.04
TPSA625.84 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.54
LogP ≤ 530.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one (CID 158475938) is (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one is Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CC(F)C5)cc4)cc(Cl)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(-c4cncc(C(=O)N5CCOCC5)c4)cc(Cl)c3o2)cn1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1.O=C(/C=C/c1ccncc1)CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)cc(Cl)c2o1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one?
The InChIKey is HGXWSYFLDLFYLV-QQWHXGEFSA-N. The full InChI is InChI=1S/C30H24ClF3N2O4.C29H27ClN4O4.C29H25ClN2O4.C28H25F3N4O5S.C27H24ClN5O4.C26H22ClFN4O4S/c31-26-17-22(20-3-5-21(6-4-20)29(38)36-11-13-39-14-12-36)15-23-16-25(40-28(23)26)9-8-24(37)7-1-19-2-10-27(35-18-19)30(32,33)34;30-25-17-22(20-3-5-21(6-4-20)29(36)34-11-13-37-14-12-34)15-23-16-24(38-28(23)25)9-10-32-27(35)8-2-19-1-7-26(31)33-18-19;30-27-19-23(21-2-4-22(5-3-21)29(34)32-13-15-35-16-14-32)17-24-18-26(36-28(24)27)8-7-25(33)6-1-20-9-11-31-12-10-20;29-28(30,31)24-15-20(19-3-5-23(6-4-19)41(37,38)35-9-11-39-12-10-35)13-21-14-22(40-27(21)24)17-34-26(36)8-2-18-1-7-25(32)33-16-18;28-23-12-18(20-10-21(15-30-14-20)27(35)33-5-7-36-8-6-33)9-19-11-22(37-26(19)23)16-32-25(34)4-2-17-1-3-24(29)31-13-17;27-23-11-18(17-3-5-22(6-4-17)37(34,35)32-14-20(28)15-32)9-19-10-21(36-26(19)23)13-31-25(33)8-2-16-1-7-24(29)30-12-16/h1-7,10,15-18H,8-9,11-14H2;1-8,15-18H,9-14H2,(H2,31,33)(H,32,35);1-6,9-12,17-19H,7-8,13-16H2;1-8,13-16H,9-12,17H2,(H2,32,33)(H,34,36);1-4,9-15H,5-8,16H2,(H2,29,31)(H,32,34);1-12,20H,13-15H2,(H2,29,30)(H,31,33)/b7-1+;8-2+;6-1+;8-2+;4-2+;8-2+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one?
(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one has a molecular weight of 3246.54 g/mol, XLogP of 30.04, 41 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[7-chloro-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-(4-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-pyridin-4-ylpent-1-en-3-one;(E)-5-[7-chloro-5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]pent-1-en-3-one is sourced from PubChem (CID 158475938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).