1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane

C153H189FN12O26S5 — CID 160843805

About 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane

1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane (PubChem CID 160843805) has the molecular formula C153H189FN12O26S5 and a molecular weight of 2791.59 g/mol. Its IUPAC name is 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane.

Molecular Properties

• Compound Name: 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane
• PubChem CID: 160843805
• Molecular Formula: C153H189FN12O26S5
• Molecular Weight: 2791.59 g/mol
• Exact Mass: 2789.24
• IUPAC Name: 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane
• SMILES: CC.CC.CCC.CC[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.CN1C(=O)SC(Cc2ccc(OCCN(C)c3ccccn3)cc2)C1=O.CNC(=O)OC1CC(C)(COc2ccc(CC3SC(=O)NC3=O)cc2)Oc2c(C)c(C)c(O)c(C)c21.COc1c(C)c(C)c(OC(C)(C)COc2ccc(CC3SC(=O)NC3=O)cc2)c(C)c1C.Cc1c(C)c(OC(C)(C)COc2ccc(CC3SC(=O)N(C)C3=O)cc2)c(C)c(C)c1O
• InChI: InChI=1S/C33H37FN2O3.C26H30N2O7S.2C25H31NO5S.C19H21N3O3S.C18H19N3O3S.C3H8.2C2H6/c1-4-27(37)21-28(38)19-20-36-31(22(2)3)30(33(39)35-26-13-9-6-10-14-26)29(23-11-7-5-8-12-23)32(36)24-15-17-25(34)18-16-24;1-13-14(2)22-20(15(3)21(13)29)18(34-24(31)27-5)11-26(4,35-22)12-33-17-8-6-16(7-9-17)10-19-23(30)28-25(32)36-19;1-14-16(3)22(17(4)15(2)21(14)29-7)31-25(5,6)13-30-19-10-8-18(9-11-19)12-20-23(27)26-24(28)32-20;1-14-16(3)22(17(4)15(2)21(14)27)31-25(5,6)13-30-19-10-8-18(9-11-19)12-20-23(28)26(7)24(29)32-20;1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16;1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;1-3-2;2*1-2/h5-18,22,27-28,37-38H,4,19-21H2,1-3H3,(H,35,39);6-9,18-19,29H,10-12H2,1-5H3,(H,27,31)(H,28,30,32);8-11,20H,12-13H2,1-7H3,(H,26,27,28);8-11,20,27H,12-13H2,1-7H3;3-10,16H,11-13H2,1-2H3;2-9,15H,10-12H2,1H3,(H,20,22,23);3H2,1-2H3;2*1-2H3/t27-,28+;;;;;;;;/m0......../s1
• InChIKey: SIJKITMXSXSAQB-KDEWIZDNSA-N
• XLogP: 30.43
• TPSA: 481.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 46
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2791.59
LogP ≤ 5	30.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane?

The IUPAC name of 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane (CID 160843805) is 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane.

What is the SMILES notation for 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane?

The canonical SMILES for 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane is CC.CC.CCC.CC[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.CN1C(=O)SC(Cc2ccc(OCCN(C)c3ccccn3)cc2)C1=O.CNC(=O)OC1CC(C)(COc2ccc(CC3SC(=O)NC3=O)cc2)Oc2c(C)c(C)c(O)c(C)c21.COc1c(C)c(C)c(OC(C)(C)COc2ccc(CC3SC(=O)NC3=O)cc2)c(C)c1C.Cc1c(C)c(OC(C)(C)COc2ccc(CC3SC(=O)N(C)C3=O)cc2)c(C)c(C)c1O.

What is the InChIKey of 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane?

The InChIKey is SIJKITMXSXSAQB-KDEWIZDNSA-N. The full InChI is InChI=1S/C33H37FN2O3.C26H30N2O7S.2C25H31NO5S.C19H21N3O3S.C18H19N3O3S.C3H8.2C2H6/c1-4-27(37)21-28(38)19-20-36-31(22(2)3)30(33(39)35-26-13-9-6-10-14-26)29(23-11-7-5-8-12-23)32(36)24-15-17-25(34)18-16-24;1-13-14(2)22-20(15(3)21(13)29)18(34-24(31)27-5)11-26(4,35-22)12-33-17-8-6-16(7-9-17)10-19-23(30)28-25(32)36-19;1-14-16(3)22(17(4)15(2)21(14)29-7)31-25(5,6)13-30-19-10-8-18(9-11-19)12-20-23(27)26-24(28)32-20;1-14-16(3)22(17(4)15(2)21(14)27)31-25(5,6)13-30-19-10-8-18(9-11-19)12-20-23(28)26(7)24(29)32-20;1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16;1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;1-3-2;2*1-2/h5-18,22,27-28,37-38H,4,19-21H2,1-3H3,(H,35,39);6-9,18-19,29H,10-12H2,1-5H3,(H,27,31)(H,28,30,32);8-11,20H,12-13H2,1-7H3,(H,26,27,28);8-11,20,27H,12-13H2,1-7H3;3-10,16H,11-13H2,1-2H3;2-9,15H,10-12H2,1H3,(H,20,22,23);3H2,1-2H3;2*1-2H3/t27-,28+;;;;;;;;/m0......../s1.

What are the key properties of 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane?

1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane has a molecular weight of 2791.59 g/mol, XLogP of 30.43, 46 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R,5S)-3,5-dihydroxyheptyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] N-methylcarbamate;ethane;5-[[4-[2-(4-hydroxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-3-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(4-methoxy-2,3,5,6-tetramethylphenoxy)-2-methylpropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propane is sourced from PubChem (CID 160843805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).