(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one

C155H133F18N19O16 — CID 157465262

IUPAC(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one
SMILESCc1noc(C)c1-c1cc(-c2ccc(F)cc2)c2oc(CCC(=O)/C=C/c3ccc(N)nc3)cc2c1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4cc5ccccc5o4)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(C4CC4C(=O)N4CCC(F)(F)CC4)cc(C(F)(F)F)c3o2)cn1
InChIInChI=1S/C38H31F2N3O4.C31H27F5N4O3.C30H26F5N5O3.C29H24FN3O3.C27H25F5N4O3/c39-38(40)15-17-43(18-16-38)37(45)26-9-7-25(8-10-26)28-19-29-20-31(13-12-30(44)11-5-24-6-14-35(41)42-23-24)46-36(29)32(21-28)34-22-27-3-1-2-4-33(27)47-34;32-30(33)10-13-40(14-11-30)29(42)21-5-3-20(4-6-21)22-15-23-16-24(43-28(23)25(17-22)31(34,35)36)9-12-38-27(41)8-2-19-1-7-26(37)39-18-19;31-29(32)8-11-40(12-9-29)28(42)19-3-4-24(38-17-19)20-13-21-14-22(43-27(21)23(15-20)30(33,34)35)7-10-37-26(41)6-2-18-1-5-25(36)39-16-18;1-17-28(18(2)36-33-17)21-13-22-14-25(11-10-24(34)9-3-19-4-12-27(31)32-16-19)35-29(22)26(15-21)20-5-7-23(30)8-6-20;28-26(29)5-7-36(8-6-26)25(38)20-12-19(20)16-9-17-10-18(39-24(17)21(11-16)27(30,31)32)14-35-23(37)4-2-15-1-3-22(33)34-13-15/h1-11,14,19-23H,12-13,15-18H2,(H2,41,42);1-8,15-18H,9-14H2,(H2,37,39)(H,38,41);1-6,13-17H,7-12H2,(H2,36,39)(H,37,41);3-9,12-16H,10-11H2,1-2H3,(H2,31,32);1-4,9-11,13,19-20H,5-8,12,14H2,(H2,33,34)(H,35,37)/b11-5+;8-2+;6-2+;9-3+;4-2+
InChIKeyBUJZAQVQDDKPOV-POEUYNTMSA-N
MW2859.85 g/mol
LogP32.47
Rot. Bonds35

About (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one

(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one (PubChem CID 157465262) has the molecular formula C155H133F18N19O16 and a molecular weight of 2859.85 g/mol. Its IUPAC name is (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one
PubChem CID157465262
Molecular FormulaC155H133F18N19O16
Molecular Weight2859.85 g/mol
Exact Mass2857.99
IUPAC Name(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one
SMILESCc1noc(C)c1-c1cc(-c2ccc(F)cc2)c2oc(CCC(=O)/C=C/c3ccc(N)nc3)cc2c1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4cc5ccccc5o4)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(C4CC4C(=O)N4CCC(F)(F)CC4)cc(C(F)(F)F)c3o2)cn1
InChIInChI=1S/C38H31F2N3O4.C31H27F5N4O3.C30H26F5N5O3.C29H24FN3O3.C27H25F5N4O3/c39-38(40)15-17-43(18-16-38)37(45)26-9-7-25(8-10-26)28-19-29-20-31(13-12-30(44)11-5-24-6-14-35(41)42-23-24)46-36(29)32(21-28)34-22-27-3-1-2-4-33(27)47-34;32-30(33)10-13-40(14-11-30)29(42)21-5-3-20(4-6-21)22-15-23-16-24(43-28(23)25(17-22)31(34,35)36)9-12-38-27(41)8-2-19-1-7-26(37)39-18-19;31-29(32)8-11-40(12-9-29)28(42)19-3-4-24(38-17-19)20-13-21-14-22(43-27(21)23(15-20)30(33,34)35)7-10-37-26(41)6-2-18-1-5-25(36)39-16-18;1-17-28(18(2)36-33-17)21-13-22-14-25(11-10-24(34)9-3-19-4-12-27(31)32-16-19)35-29(22)26(15-21)20-5-7-23(30)8-6-20;28-26(29)5-7-36(8-6-26)25(38)20-12-19(20)16-9-17-10-18(39-24(17)21(11-16)27(30,31)32)14-35-23(37)4-2-15-1-3-22(33)34-13-15/h1-11,14,19-23H,12-13,15-18H2,(H2,41,42);1-8,15-18H,9-14H2,(H2,37,39)(H,38,41);1-6,13-17H,7-12H2,(H2,36,39)(H,37,41);3-9,12-16H,10-11H2,1-2H3,(H2,31,32);1-4,9-11,13,19-20H,5-8,12,14H2,(H2,33,34)(H,35,37)/b11-5+;8-2+;6-2+;9-3+;4-2+
InChIKeyBUJZAQVQDDKPOV-POEUYNTMSA-N
XLogP32.47
TPSA514.99 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002859.85
LogP ≤ 532.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one?
The IUPAC name of (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one (CID 157465262) is (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one.
What is the SMILES notation for (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one?
The canonical SMILES for (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one is Cc1noc(C)c1-c1cc(-c2ccc(F)cc2)c2oc(CCC(=O)/C=C/c3ccc(N)nc3)cc2c1.Nc1ccc(/C=C/C(=O)CCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(-c4cc5ccccc5o4)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCCc2cc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cn4)cc(C(F)(F)F)c3o2)cn1.Nc1ccc(/C=C/C(=O)NCc2cc3cc(C4CC4C(=O)N4CCC(F)(F)CC4)cc(C(F)(F)F)c3o2)cn1.
What is the InChIKey of (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one?
The InChIKey is BUJZAQVQDDKPOV-POEUYNTMSA-N. The full InChI is InChI=1S/C38H31F2N3O4.C31H27F5N4O3.C30H26F5N5O3.C29H24FN3O3.C27H25F5N4O3/c39-38(40)15-17-43(18-16-38)37(45)26-9-7-25(8-10-26)28-19-29-20-31(13-12-30(44)11-5-24-6-14-35(41)42-23-24)46-36(29)32(21-28)34-22-27-3-1-2-4-33(27)47-34;32-30(33)10-13-40(14-11-30)29(42)21-5-3-20(4-6-21)22-15-23-16-24(43-28(23)25(17-22)31(34,35)36)9-12-38-27(41)8-2-19-1-7-26(37)39-18-19;31-29(32)8-11-40(12-9-29)28(42)19-3-4-24(38-17-19)20-13-21-14-22(43-27(21)23(15-20)30(33,34)35)7-10-37-26(41)6-2-18-1-5-25(36)39-16-18;1-17-28(18(2)36-33-17)21-13-22-14-25(11-10-24(34)9-3-19-4-12-27(31)32-16-19)35-29(22)26(15-21)20-5-7-23(30)8-6-20;28-26(29)5-7-36(8-6-26)25(38)20-12-19(20)16-9-17-10-18(39-24(17)21(11-16)27(30,31)32)14-35-23(37)4-2-15-1-3-22(33)34-13-15/h1-11,14,19-23H,12-13,15-18H2,(H2,41,42);1-8,15-18H,9-14H2,(H2,37,39)(H,38,41);1-6,13-17H,7-12H2,(H2,36,39)(H,37,41);3-9,12-16H,10-11H2,1-2H3,(H2,31,32);1-4,9-11,13,19-20H,5-8,12,14H2,(H2,33,34)(H,35,37)/b11-5+;8-2+;6-2+;9-3+;4-2+.
What are the key properties of (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one?
(E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one has a molecular weight of 2859.85 g/mol, XLogP of 32.47, 35 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-amino-3-pyridinyl)-5-[7-(1-benzofuran-2-yl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]pent-1-en-3-one;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4,4-difluoropiperidine-1-carbonyl)cyclopropyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[2-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluorophenyl)-1-benzofuran-2-yl]pent-1-en-3-one is sourced from PubChem (CID 157465262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).