benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

C121H121F3N6O12 — CID 91423858

IUPACbenzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(=O)C[C@@H](C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](CC(=O)OCc1ccccc1)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C47H47FN2O5.C41H43FN2O4.C33H31FN2O3/c1-33(2)45-44(47(53)49-39-21-13-6-14-22-39)43(36-19-11-5-12-20-36)46(37-23-25-38(48)26-24-37)50(45)28-27-40(51)29-41(54-31-34-15-7-3-8-16-34)30-42(52)55-32-35-17-9-4-10-18-35;1-28(2)39-38(41(47)43-34-17-11-6-12-18-34)37(31-15-9-5-10-16-31)40(32-19-21-33(42)22-20-32)44(39)24-23-35(46)26-36(25-29(3)45)48-27-30-13-7-4-8-14-30;1-22(2)31-30(33(38)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27-14-9-15-28(37)39-27/h3-26,33,40-41,51H,27-32H2,1-2H3,(H,49,53);4-22,28,35-36,46H,23-27H2,1-3H3,(H,43,47);3-13,15-19,22,27H,14,20-21H2,1-2H3,(H,35,38)/t40-,41-;35-,36+;27-/m110/s1
InChIKeyMVDFRDYRMQJGPO-CMLVNPAMSA-N
MW1908.32 g/mol
LogP26.84
Rot. Bonds40

About benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 91423858) has the molecular formula C121H121F3N6O12 and a molecular weight of 1908.32 g/mol. Its IUPAC name is benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Namebenzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID91423858
Molecular FormulaC121H121F3N6O12
Molecular Weight1908.32 g/mol
Exact Mass1906.90
IUPAC Namebenzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(=O)C[C@@H](C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](CC(=O)OCc1ccccc1)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C47H47FN2O5.C41H43FN2O4.C33H31FN2O3/c1-33(2)45-44(47(53)49-39-21-13-6-14-22-39)43(36-19-11-5-12-20-36)46(37-23-25-38(48)26-24-37)50(45)28-27-40(51)29-41(54-31-34-15-7-3-8-16-34)30-42(52)55-32-35-17-9-4-10-18-35;1-28(2)39-38(41(47)43-34-17-11-6-12-18-34)37(31-15-9-5-10-16-31)40(32-19-21-33(42)22-20-32)44(39)24-23-35(46)26-36(25-29(3)45)48-27-30-13-7-4-8-14-30;1-22(2)31-30(33(38)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27-14-9-15-28(37)39-27/h3-26,33,40-41,51H,27-32H2,1-2H3,(H,49,53);4-22,28,35-36,46H,23-27H2,1-3H3,(H,43,47);3-13,15-19,22,27H,14,20-21H2,1-2H3,(H,35,38)/t40-,41-;35-,36+;27-/m110/s1
InChIKeyMVDFRDYRMQJGPO-CMLVNPAMSA-N
XLogP26.84
TPSA230.68 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds40
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.32
LogP ≤ 526.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Atorvastatin
CID 60823
Atorvastatin Calcium
CID 60822
Atorvastatin hemicalcium trihydrate
CID 656846
Atorvastatin lactone
CID 6483036
Atorvastatin Acid
CID 70680954
Atorvastatin EP Impurity B
CID 2250
Atorvastatin(1-)
CID 17589822
ent-Atorvastatin
CID 62976
Atorvastatin Sodium
CID 23665101
5-(4-fluorophenyl)-N,4-diphenyl-1-[2-[(2R,4R)-4-phenylmethoxy-6-prop-2-enoxyoxan-2-yl]ethyl]-2-propan-2-ylpyrrole-3-carboxamide
CID 46917353
Ncx-6560
CID 11239321
Atorvastatin Ethyl Ester
CID 57892870

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 91423858) is benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is CC(=O)C[C@@H](C[C@H](O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](CC(=O)OCc1ccccc1)OCc1ccccc1.CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1CC=CC(=O)O1.
What is the InChIKey of benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is MVDFRDYRMQJGPO-CMLVNPAMSA-N. The full InChI is InChI=1S/C47H47FN2O5.C41H43FN2O4.C33H31FN2O3/c1-33(2)45-44(47(53)49-39-21-13-6-14-22-39)43(36-19-11-5-12-20-36)46(37-23-25-38(48)26-24-37)50(45)28-27-40(51)29-41(54-31-34-15-7-3-8-16-34)30-42(52)55-32-35-17-9-4-10-18-35;1-28(2)39-38(41(47)43-34-17-11-6-12-18-34)37(31-15-9-5-10-16-31)40(32-19-21-33(42)22-20-32)44(39)24-23-35(46)26-36(25-29(3)45)48-27-30-13-7-4-8-14-30;1-22(2)31-30(33(38)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27-14-9-15-28(37)39-27/h3-26,33,40-41,51H,27-32H2,1-2H3,(H,49,53);4-22,28,35-36,46H,23-27H2,1-3H3,(H,43,47);3-13,15-19,22,27H,14,20-21H2,1-2H3,(H,35,38)/t40-,41-;35-,36+;27-/m110/s1.
What are the key properties of benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 1908.32 g/mol, XLogP of 26.84, 40 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-phenylmethoxyheptanoate;5-(4-fluorophenyl)-1-[(3R,5R)-3-hydroxy-7-oxo-5-phenylmethoxyoctyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide;5-(4-fluorophenyl)-1-[2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 91423858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).