(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

C174H198F4N8O19 — CID 157135160

IUPAC(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
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O.O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H47FN2O5.3C31H31FN2O4.C20H18O2.10CH4/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;3*1-20(2)29-28(31(38)33-24-11-7-4-8-12-24)27(21-9-5-3-6-10-21)30(22-13-15-23(32)16-14-22)34(29)18-17-25(35)19-26(36)37;21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);3*3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H;10*1H4/t43?,49-;25-;;;19-;;;;;;;;;;/m01..1........../s1
InChIKeyAJNOOFQMTRGMAF-NDIGWDPFSA-N
MW2781.53 g/mol
LogP40.40
Rot. Bonds49

About (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

(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 (PubChem CID 157135160) has the molecular formula C174H198F4N8O19 and a molecular weight of 2781.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157135160
Molecular FormulaC174H198F4N8O19
Molecular Weight2781.53 g/mol
Exact Mass2779.47
IUPAC Name(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
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O.O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H47FN2O5.3C31H31FN2O4.C20H18O2.10CH4/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;3*1-20(2)29-28(31(38)33-24-11-7-4-8-12-24)27(21-9-5-3-6-10-21)30(22-13-15-23(32)16-14-22)34(29)18-17-25(35)19-26(36)37;21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);3*3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H;10*1H4/t43?,49-;25-;;;19-;;;;;;;;;;/m01..1........../s1
InChIKeyAJNOOFQMTRGMAF-NDIGWDPFSA-N
XLogP40.40
TPSA415.93 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds49
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.53
LogP ≤ 540.40
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze (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 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
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
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 21029434
[(1S)-1-chloroethyl] (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 142859391
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;trihydrate
CID 66713564
phenyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 25066266
calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;propan-2-ol
CID 23654481
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;2,2,2-trifluoroacetic acid
CID 75204412
calcium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173224535
calcium bis((5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoic acid)
CID 175673589
tert-butyl (3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 98140141

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.C.C.C.C.C.C.C.C.C.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)O.O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (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?
The InChIKey is AJNOOFQMTRGMAF-NDIGWDPFSA-N. The full InChI is InChI=1S/C51H47FN2O5.3C31H31FN2O4.C20H18O2.10CH4/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;3*1-20(2)29-28(31(38)33-24-11-7-4-8-12-24)27(21-9-5-3-6-10-21)30(22-13-15-23(32)16-14-22)34(29)18-17-25(35)19-26(36)37;21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;;;;/h3-31,35,43,49,55,58H,32-34H2,1-2H3,(H,53,57);3*3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H;10*1H4/t43?,49-;25-;;;19-;;;;;;;;;;/m01..1........../s1.
What are the key properties of (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?
(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 has a molecular weight of 2781.53 g/mol, XLogP of 40.40, 49 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157135160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).