(3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol

C102H96F2N4O11 — CID 158123179

IUPAC(3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)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.O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H47FN2O5.C31H31FN2O4.C20H18O2/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;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);3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H/t43-,49+;25-;19-/m111/s1
InChIKeyFRVPVYJZPCDRGM-IRIFXHKGSA-N
MW1591.90 g/mol
LogP20.92
Rot. Bonds29

About (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol (PubChem CID 158123179) has the molecular formula C102H96F2N4O11 and a molecular weight of 1591.90 g/mol. Its IUPAC name is (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol
PubChem CID158123179
Molecular FormulaC102H96F2N4O11
Molecular Weight1591.90 g/mol
Exact Mass1590.70
IUPAC Name(3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol
SMILESCC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)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.O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C51H47FN2O5.C31H31FN2O4.C20H18O2/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;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);3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H/t43-,49+;25-;19-/m111/s1
InChIKeyFRVPVYJZPCDRGM-IRIFXHKGSA-N
XLogP20.92
TPSA232.81 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.90
LogP ≤ 520.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol with MolForge

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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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol (CID 158123179) is (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoic acid;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol is CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CC(=O)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.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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol?
The InChIKey is FRVPVYJZPCDRGM-IRIFXHKGSA-N. The full InChI is InChI=1S/C51H47FN2O5.C31H31FN2O4.C20H18O2/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;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);3-16,20,25,35H,17-19H2,1-2H3,(H,33,38)(H,36,37);1-15,19,21-22H/t43-,49+;25-;19-/m111/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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol has a molecular weight of 1591.90 g/mol, XLogP of 20.92, 29 rotatable bonds, 8 hydrogen bond donors, and 12 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;[(1S)-2-hydroxy-1,2,2-triphenylethyl] (3R)-5-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxypentanoate;(2R)-1,1,2-triphenylethane-1,2-diol is sourced from PubChem (CID 158123179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).