N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one

C163H174F20N10O29S2 — CID 157085096

IUPACN-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one
SMILESC=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CCC=O)NS(=O)C(C)(C)C)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCC=N2)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C36H42F4N2O6S.C35H40F4N2O7S.C31H32F4N2O5.C31H30F4N2O5.C30H30F4N2O6/c1-7-9-17-34(42-49(45)33(3,4)5)22-48-32-26(34)21-30(41-31(32)23-10-13-25(37)14-11-23)35(44,36(38,39)40)18-16-27(43)24-12-15-28(47-19-8-2)29(20-24)46-6;1-6-18-47-27-13-10-23(19-28(27)46-5)26(43)14-16-34(44,35(37,38)39)29-20-25-31(30(40-29)22-8-11-24(36)12-9-22)48-21-33(25,15-7-17-42)41-49(45)32(2,3)4;2*1-3-15-41-24-10-7-20(16-25(24)40-2)23(38)11-13-30(39,31(33,34)35)26-17-22-28(42-18-29(22)12-4-14-36-29)27(37-26)19-5-8-21(32)9-6-19;1-40-24-15-19(5-8-23(24)41-14-13-37)22(38)9-11-29(39,30(32,33)34)25-16-21-27(42-17-28(21)10-2-12-35-28)26(36-25)18-3-6-20(31)7-4-18/h7,10-15,20-21,42,44H,1,8-9,16-19,22H2,2-6H3;8-13,17,19-20,41,44H,6-7,14-16,18,21H2,1-5H3;5-10,16-17,36,39H,3-4,11-15,18H2,1-2H3;5-10,14,16-17,39H,3-4,11-13,15,18H2,1-2H3;3-8,15-16,35,37,39H,2,9-14,17H2,1H3
InChIKeyADZOXGLLJUIBFZ-UHFFFAOYSA-N
MW3181.32 g/mol
LogP31.69
Rot. Bonds60

About N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one

N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one (PubChem CID 157085096) has the molecular formula C163H174F20N10O29S2 and a molecular weight of 3181.32 g/mol. Its IUPAC name is N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one.

Molecular Properties

Compound NameN-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one
PubChem CID157085096
Molecular FormulaC163H174F20N10O29S2
Molecular Weight3181.32 g/mol
Exact Mass3179.16
IUPAC NameN-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one
SMILESC=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CCC=O)NS(=O)C(C)(C)C)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCC=N2)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C36H42F4N2O6S.C35H40F4N2O7S.C31H32F4N2O5.C31H30F4N2O5.C30H30F4N2O6/c1-7-9-17-34(42-49(45)33(3,4)5)22-48-32-26(34)21-30(41-31(32)23-10-13-25(37)14-11-23)35(44,36(38,39)40)18-16-27(43)24-12-15-28(47-19-8-2)29(20-24)46-6;1-6-18-47-27-13-10-23(19-28(27)46-5)26(43)14-16-34(44,35(37,38)39)29-20-25-31(30(40-29)22-8-11-24(36)12-9-22)48-21-33(25,15-7-17-42)41-49(45)32(2,3)4;2*1-3-15-41-24-10-7-20(16-25(24)40-2)23(38)11-13-30(39,31(33,34)35)26-17-22-28(42-18-29(22)12-4-14-36-29)27(37-26)19-5-8-21(32)9-6-19;1-40-24-15-19(5-8-23(24)41-14-13-37)22(38)9-11-29(39,30(32,33)34)25-16-21-27(42-17-28(21)10-2-12-35-28)26(36-25)18-3-6-20(31)7-4-18/h7,10-15,20-21,42,44H,1,8-9,16-19,22H2,2-6H3;8-13,17,19-20,41,44H,6-7,14-16,18,21H2,1-5H3;5-10,16-17,36,39H,3-4,11-15,18H2,1-2H3;5-10,14,16-17,39H,3-4,11-13,15,18H2,1-2H3;3-8,15-16,35,37,39H,2,9-14,17H2,1H3
InChIKeyADZOXGLLJUIBFZ-UHFFFAOYSA-N
XLogP31.69
TPSA521.32 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds60
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003181.32
LogP ≤ 531.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one?
The IUPAC name of N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one (CID 157085096) is N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one.
What is the SMILES notation for N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one?
The canonical SMILES for N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one is C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(O)(CCC(=O)c1ccc(OCCC)c(OC)c1)C(F)(F)F)nc2-c1ccc(F)cc1.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CCC=O)NS(=O)C(C)(C)C)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCC=N2)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)ccc1OCCO.
What is the InChIKey of N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one?
The InChIKey is ADZOXGLLJUIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42F4N2O6S.C35H40F4N2O7S.C31H32F4N2O5.C31H30F4N2O5.C30H30F4N2O6/c1-7-9-17-34(42-49(45)33(3,4)5)22-48-32-26(34)21-30(41-31(32)23-10-13-25(37)14-11-23)35(44,36(38,39)40)18-16-27(43)24-12-15-28(47-19-8-2)29(20-24)46-6;1-6-18-47-27-13-10-23(19-28(27)46-5)26(43)14-16-34(44,35(37,38)39)29-20-25-31(30(40-29)22-8-11-24(36)12-9-22)48-21-33(25,15-7-17-42)41-49(45)32(2,3)4;2*1-3-15-41-24-10-7-20(16-25(24)40-2)23(38)11-13-30(39,31(33,34)35)26-17-22-28(42-18-29(22)12-4-14-36-29)27(37-26)19-5-8-21(32)9-6-19;1-40-24-15-19(5-8-23(24)41-14-13-37)22(38)9-11-29(39,30(32,33)34)25-16-21-27(42-17-28(21)10-2-12-35-28)26(36-25)18-3-6-20(31)7-4-18/h7,10-15,20-21,42,44H,1,8-9,16-19,22H2,2-6H3;8-13,17,19-20,41,44H,6-7,14-16,18,21H2,1-5H3;5-10,16-17,36,39H,3-4,11-15,18H2,1-2H3;5-10,14,16-17,39H,3-4,11-13,15,18H2,1-2H3;3-8,15-16,35,37,39H,2,9-14,17H2,1H3.
What are the key properties of N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one?
N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one has a molecular weight of 3181.32 g/mol, XLogP of 31.69, 60 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-but-3-enyl-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)pentan-1-one is sourced from PubChem (CID 157085096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).