(5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione
C113H93ClFN19O22S — CID 159864027
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c[nH]c(=O)c(Cl)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccs4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C24H19ClN4O5.C24H20N4O5.C24H20N4O4.C22H18N4O4S.C19H16FN3O4/c1-34-17-7-4-14-11-29(21(31)18(14)9-17)12-24(22(32)27-23(33)28-24)16-5-2-13(3-6-16)15-8-19(25)20(30)26-10-15;1-33-17-9-6-15-12-28(21(30)19(15)11-17)13-24(22(31)26-23(32)27-24)16-7-4-14(5-8-16)18-3-2-10-25-20(18)29;1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20;1-30-16-7-4-14-11-26(19(27)17(14)10-16)12-22(20(28)24-21(29)25-22)15-5-2-13(3-6-15)18-23-8-9-31-18;1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-10H,11-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-11H,12-13H2,1H3,(H,25,29)(H2,26,27,31,32);2-12H,13-14H2,1H3,(H2,26,27,30,31);2-10H,11-12H2,1H3,(H2,24,25,28,29);2-8H,9-10H2,1H3,(H2,21,22,25,26)/t3*24-;22-;19-/m00000/s1
InChIKeyNRMVSKIUYQXDGH-BXKIUPDOSA-N
MW2155.62 g/mol
LogP10.62
Rot. Bonds24
About (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione
(5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 159864027) has the molecular formula C113H93ClFN19O22S and a molecular weight of 2155.62 g/mol. Its IUPAC name is (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione |
|---|---|
| PubChem CID | 159864027 |
| Molecular Formula | C113H93ClFN19O22S |
| Molecular Weight | 2155.62 g/mol |
| Exact Mass | 2153.61 |
| IUPAC Name | (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione |
| SMILES | COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c[nH]c(=O)c(Cl)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccs4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2 |
| InChI | InChI=1S/C24H19ClN4O5.C24H20N4O5.C24H20N4O4.C22H18N4O4S.C19H16FN3O4/c1-34-17-7-4-14-11-29(21(31)18(14)9-17)12-24(22(32)27-23(33)28-24)16-5-2-13(3-6-16)15-8-19(25)20(30)26-10-15;1-33-17-9-6-15-12-28(21(30)19(15)11-17)13-24(22(31)26-23(32)27-24)16-7-4-14(5-8-16)18-3-2-10-25-20(18)29;1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20;1-30-16-7-4-14-11-26(19(27)17(14)10-16)12-22(20(28)24-21(29)25-22)15-5-2-13(3-6-15)18-23-8-9-31-18;1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-10H,11-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-11H,12-13H2,1H3,(H,25,29)(H2,26,27,31,32);2-12H,13-14H2,1H3,(H2,26,27,30,31);2-10H,11-12H2,1H3,(H2,24,25,28,29);2-8H,9-10H2,1H3,(H2,21,22,25,26)/t3*24-;22-;19-/m00000/s1 |
| InChIKey | NRMVSKIUYQXDGH-BXKIUPDOSA-N |
| XLogP | 10.62 |
| TPSA | 530.20 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2155.62 |
| LogP ≤ 5 | 10.62 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione (CID 159864027) is (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4c[nH]c(=O)c(Cl)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccs4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(F)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NRMVSKIUYQXDGH-BXKIUPDOSA-N. The full InChI is InChI=1S/C24H19ClN4O5.C24H20N4O5.C24H20N4O4.C22H18N4O4S.C19H16FN3O4/c1-34-17-7-4-14-11-29(21(31)18(14)9-17)12-24(22(32)27-23(33)28-24)16-5-2-13(3-6-16)15-8-19(25)20(30)26-10-15;1-33-17-9-6-15-12-28(21(30)19(15)11-17)13-24(22(31)26-23(32)27-24)16-7-4-14(5-8-16)18-3-2-10-25-20(18)29;1-32-18-10-7-16-13-28(21(29)19(16)12-18)14-24(22(30)26-23(31)27-24)17-8-5-15(6-9-17)20-4-2-3-11-25-20;1-30-16-7-4-14-11-26(19(27)17(14)10-16)12-22(20(28)24-21(29)25-22)15-5-2-13(3-6-15)18-23-8-9-31-18;1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-10H,11-12H2,1H3,(H,26,30)(H2,27,28,32,33);2-11H,12-13H2,1H3,(H,25,29)(H2,26,27,31,32);2-12H,13-14H2,1H3,(H2,26,27,30,31);2-10H,11-12H2,1H3,(H2,24,25,28,29);2-8H,9-10H2,1H3,(H2,21,22,25,26)/t3*24-;22-;19-/m00000/s1.
What are the key properties of (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 2155.62 g/mol, XLogP of 10.62, 24 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159864027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159864027 — identifiers, structure, computed properties (public domain)
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