1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate

C202H199F5N10O22 — CID 162266582

IUPAC1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate
SMILESCC(=O)CC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.COC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C
InChIInChI=1S/C51H47FN2O5.C34H37FN2O4.C34H35FN2O4.C32H33FN2O4.C29H27FN2O2.C22H20O3/c1-35(2)47-46(50(57)53-42-26-16-7-17-27-42)45(36-18-8-3-9-19-36)48(37-28-30-41(52)31-29-37)54(47)33-32-43(55)34-44(56)59-49(38-20-10-4-11-21-38)51(58,39-22-12-5-13-23-39)40-24-14-6-15-25-40;2*1-22(2)32-31(34(41)36-27-12-8-5-9-13-27)30(24-10-6-4-7-11-24)33(25-14-16-26(35)17-15-25)37(32)19-18-28(39)21-29(40)20-23(3)38;1-21(2)30-29(32(38)34-25-12-8-5-9-13-25)28(22-10-6-4-7-11-22)31(23-14-16-24(33)17-15-23)35(30)19-18-26(36)20-27(37)39-3;1-20(2)27-26(29(34)31-24-12-7-4-8-13-24)25(21-10-5-3-6-11-21)28(32(27)18-9-19-33)22-14-16-23(30)17-15-22;1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);4-17,22,28-29,39-40H,18-21H2,1-3H3,(H,36,41);4-17,22,28,39H,18-21H2,1-3H3,(H,36,41);4-17,21,26,36H,18-20H2,1-3H3,(H,34,38);3-8,10-17,19-20H,9,18H2,1-2H3,(H,31,34);2-16,21,24H,1H3/t43-,49+;28-,29+;28-;26-;;21-/m1111.0/s1
InChIKeyZZZIAVJQUWFQFH-DMFBDLPOSA-N
MW3213.85 g/mol
LogP42.35
Rot. Bonds62

About 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate

1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate (PubChem CID 162266582) has the molecular formula C202H199F5N10O22 and a molecular weight of 3213.85 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate
PubChem CID162266582
Molecular FormulaC202H199F5N10O22
Molecular Weight3213.85 g/mol
Exact Mass3211.47
IUPAC Name1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate
SMILESCC(=O)CC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.COC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C
InChIInChI=1S/C51H47FN2O5.C34H37FN2O4.C34H35FN2O4.C32H33FN2O4.C29H27FN2O2.C22H20O3/c1-35(2)47-46(50(57)53-42-26-16-7-17-27-42)45(36-18-8-3-9-19-36)48(37-28-30-41(52)31-29-37)54(47)33-32-43(55)34-44(56)59-49(38-20-10-4-11-21-38)51(58,39-22-12-5-13-23-39)40-24-14-6-15-25-40;2*1-22(2)32-31(34(41)36-27-12-8-5-9-13-27)30(24-10-6-4-7-11-24)33(25-14-16-26(35)17-15-25)37(32)19-18-28(39)21-29(40)20-23(3)38;1-21(2)30-29(32(38)34-25-12-8-5-9-13-25)28(22-10-6-4-7-11-22)31(23-14-16-24(33)17-15-23)35(30)19-18-26(36)20-27(37)39-3;1-20(2)27-26(29(34)31-24-12-7-4-8-13-24)25(21-10-5-3-6-11-21)28(32(27)18-9-19-33)22-14-16-23(30)17-15-22;1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);4-17,22,28-29,39-40H,18-21H2,1-3H3,(H,36,41);4-17,22,28,39H,18-21H2,1-3H3,(H,36,41);4-17,21,26,36H,18-20H2,1-3H3,(H,34,38);3-8,10-17,19-20H,9,18H2,1-2H3,(H,31,34);2-16,21,24H,1H3/t43-,49+;28-,29+;28-;26-;;21-/m1111.0/s1
InChIKeyZZZIAVJQUWFQFH-DMFBDLPOSA-N
XLogP42.35
TPSA458.94 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds62
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003213.85
LogP ≤ 542.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate with MolForge

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Related Compounds

[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3S)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate
CID 11857051
(3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;bis(5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid);[(1S)-2-hydroxy-1,2,2-triphenylethyl] 5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methane;(2R)-1,1,2-triphenylethane-1,2-diol
CID 157135160
[(1S)-1-chloroethyl] (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 142859391
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
tert-butyl (3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 98140141
chloro (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 155295866
ethyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 70097540
5-(4-fluorophenyl)-1-(5-hydroxy-3-methyl-7-oxooctyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 77313576
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-[(3R)-3,5,8,8-tetrahydroxyoctyl]pyrrole-3-carboxamide
CID 142058881
phenyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 25066266
hexan-2-yl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 67738935
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 21029434

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate?
The IUPAC name of 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate (CID 162266582) is 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate.
What is the SMILES notation for 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate?
The canonical SMILES for 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate is CC(=O)CC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)C[C@H](O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.COC(=O)C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.
What is the InChIKey of 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate?
The InChIKey is ZZZIAVJQUWFQFH-DMFBDLPOSA-N. The full InChI is InChI=1S/C51H47FN2O5.C34H37FN2O4.C34H35FN2O4.C32H33FN2O4.C29H27FN2O2.C22H20O3/c1-35(2)47-46(50(57)53-42-26-16-7-17-27-42)45(36-18-8-3-9-19-36)48(37-28-30-41(52)31-29-37)54(47)33-32-43(55)34-44(56)59-49(38-20-10-4-11-21-38)51(58,39-22-12-5-13-23-39)40-24-14-6-15-25-40;2*1-22(2)32-31(34(41)36-27-12-8-5-9-13-27)30(24-10-6-4-7-11-24)33(25-14-16-26(35)17-15-25)37(32)19-18-28(39)21-29(40)20-23(3)38;1-21(2)30-29(32(38)34-25-12-8-5-9-13-25)28(22-10-6-4-7-11-22)31(23-14-16-24(33)17-15-23)35(30)19-18-26(36)20-27(37)39-3;1-20(2)27-26(29(34)31-24-12-7-4-8-13-24)25(21-10-5-3-6-11-21)28(32(27)18-9-19-33)22-14-16-23(30)17-15-22;1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);4-17,22,28-29,39-40H,18-21H2,1-3H3,(H,36,41);4-17,22,28,39H,18-21H2,1-3H3,(H,36,41);4-17,21,26,36H,18-20H2,1-3H3,(H,34,38);3-8,10-17,19-20H,9,18H2,1-2H3,(H,31,34);2-16,21,24H,1H3/t43-,49+;28-,29+;28-;26-;;21-/m1111.0/s1.
What are the key properties of 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate?
1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate has a molecular weight of 3213.85 g/mol, XLogP of 42.35, 62 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dihydroxy-7-oxooctyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[(3R)-3-hydroxy-5,7-dioxooctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-(3-oxopropyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;methyl (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate is sourced from PubChem (CID 162266582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).