N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride

C155H145Cl2F19N14O21S5 — CID 158309153

IUPACN-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride
SMILESCC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2Cl.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(/C=C/c2ccccc2)NS(=O)C(C)(C)C)C(F)(F)F)cc2cccnc12.COc1cc(C(=O)Cl)cc2cccnc12
InChIInChI=1S/C40H37F4N3O5S.C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S.C21H20ClF3N2O3S.C11H8ClNO2/c1-37(2,3)53(50)47-38(18-16-25-9-6-5-7-10-25)24-52-36-30(38)23-33(46-35(36)26-12-14-29(41)15-13-26)39(49,40(42,43)44)19-17-31(48)28-21-27-11-8-20-45-34(27)32(22-28)51-4;1-25(2,3)41(39)34-26(14-13-18-7-5-4-6-8-18)17-40-24-21(26)15-22(27(36,16-35(37)38)28(30,31)32)33-23(24)19-9-11-20(29)12-10-19;1-25(2,3)39(37)35-26(14-13-18-7-5-4-6-8-18)17-38-24-21(26)15-22(27(36,16-33)28(30,31)32)34-23(24)19-9-11-20(29)12-10-19;1-25(2,3)37(35)33-26(14-13-17-7-5-4-6-8-17)16-36-23-20(26)15-21(24(34)27(29,30)31)32-22(23)18-9-11-19(28)12-10-18;1-19(2,3)31(29)27-20(10-9-13-7-5-4-6-8-13)12-30-16-14(20)11-15(26-18(16)22)17(28)21(23,24)25;1-15-9-6-8(11(12)14)5-7-3-2-4-13-10(7)9/h5-16,18,20-23,47,49H,17,19,24H2,1-4H3;4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3;4-11,27H,12H2,1-3H3;2-6H,1H3/b18-16+;3*14-13+;10-9+;
InChIKeyGNLQGUOOEMXPDU-RDELATSISA-N
MW3132.14 g/mol
LogP31.87
Rot. Bonds39

About N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride

N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride (PubChem CID 158309153) has the molecular formula C155H145Cl2F19N14O21S5 and a molecular weight of 3132.14 g/mol. Its IUPAC name is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride.

Molecular Properties

Compound NameN-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride
PubChem CID158309153
Molecular FormulaC155H145Cl2F19N14O21S5
Molecular Weight3132.14 g/mol
Exact Mass3128.84
IUPAC NameN-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride
SMILESCC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2Cl.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(/C=C/c2ccccc2)NS(=O)C(C)(C)C)C(F)(F)F)cc2cccnc12.COc1cc(C(=O)Cl)cc2cccnc12
InChIInChI=1S/C40H37F4N3O5S.C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S.C21H20ClF3N2O3S.C11H8ClNO2/c1-37(2,3)53(50)47-38(18-16-25-9-6-5-7-10-25)24-52-36-30(38)23-33(46-35(36)26-12-14-29(41)15-13-26)39(49,40(42,43)44)19-17-31(48)28-21-27-11-8-20-45-34(27)32(22-28)51-4;1-25(2,3)41(39)34-26(14-13-18-7-5-4-6-8-18)17-40-24-21(26)15-22(27(36,16-35(37)38)28(30,31)32)33-23(24)19-9-11-20(29)12-10-19;1-25(2,3)39(37)35-26(14-13-18-7-5-4-6-8-18)17-38-24-21(26)15-22(27(36,16-33)28(30,31)32)34-23(24)19-9-11-20(29)12-10-19;1-25(2,3)37(35)33-26(14-13-17-7-5-4-6-8-17)16-36-23-20(26)15-21(24(34)27(29,30)31)32-22(23)18-9-11-19(28)12-10-18;1-19(2,3)31(29)27-20(10-9-13-7-5-4-6-8-13)12-30-16-14(20)11-15(26-18(16)22)17(28)21(23,24)25;1-15-9-6-8(11(12)14)5-7-3-2-4-13-10(7)9/h5-16,18,20-23,47,49H,17,19,24H2,1-4H3;4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3;4-11,27H,12H2,1-3H3;2-6H,1H3/b18-16+;3*14-13+;10-9+;
InChIKeyGNLQGUOOEMXPDU-RDELATSISA-N
XLogP31.87
TPSA498.47 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003132.14
LogP ≤ 531.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride?
The IUPAC name of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride (CID 158309153) is N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride.
What is the SMILES notation for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride?
The canonical SMILES for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride is CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(=O)C(F)(F)F)nc2Cl.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)NC1(/C=C/c2ccccc2)COc2c1cc(C(O)(C[N+](=O)[O-])C(F)(F)F)nc2-c1ccc(F)cc1.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(/C=C/c2ccccc2)NS(=O)C(C)(C)C)C(F)(F)F)cc2cccnc12.COc1cc(C(=O)Cl)cc2cccnc12.
What is the InChIKey of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride?
The InChIKey is GNLQGUOOEMXPDU-RDELATSISA-N. The full InChI is InChI=1S/C40H37F4N3O5S.C28H27F4N3O5S.C28H29F4N3O3S.C27H24F4N2O3S.C21H20ClF3N2O3S.C11H8ClNO2/c1-37(2,3)53(50)47-38(18-16-25-9-6-5-7-10-25)24-52-36-30(38)23-33(46-35(36)26-12-14-29(41)15-13-26)39(49,40(42,43)44)19-17-31(48)28-21-27-11-8-20-45-34(27)32(22-28)51-4;1-25(2,3)41(39)34-26(14-13-18-7-5-4-6-8-18)17-40-24-21(26)15-22(27(36,16-35(37)38)28(30,31)32)33-23(24)19-9-11-20(29)12-10-19;1-25(2,3)39(37)35-26(14-13-18-7-5-4-6-8-18)17-38-24-21(26)15-22(27(36,16-33)28(30,31)32)34-23(24)19-9-11-20(29)12-10-19;1-25(2,3)37(35)33-26(14-13-17-7-5-4-6-8-17)16-36-23-20(26)15-21(24(34)27(29,30)31)32-22(23)18-9-11-19(28)12-10-18;1-19(2,3)31(29)27-20(10-9-13-7-5-4-6-8-13)12-30-16-14(20)11-15(26-18(16)22)17(28)21(23,24)25;1-15-9-6-8(11(12)14)5-7-3-2-4-13-10(7)9/h5-16,18,20-23,47,49H,17,19,24H2,1-4H3;4-15,34,36H,16-17H2,1-3H3;4-15,35-36H,16-17,33H2,1-3H3;4-15,33H,16H2,1-3H3;4-11,27H,12H2,1-3H3;2-6H,1H3/b18-16+;3*14-13+;10-9+;.
What are the key properties of N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride?
N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride has a molecular weight of 3132.14 g/mol, XLogP of 31.87, 39 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(2,2,2-trifluoroacetyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-[1,1,1-trifluoro-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-[(E)-2-phenylethenyl]-5-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;8-methoxyquinoline-6-carbonyl chloride is sourced from PubChem (CID 158309153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).