(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

C101H81F4N17O17 — CID 159826341

About (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (PubChem CID 159826341) has the molecular formula C101H81F4N17O17 and a molecular weight of 1880.85 g/mol. Its IUPAC name is (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 159826341
• Molecular Formula: C101H81F4N17O17
• Molecular Weight: 1880.85 g/mol
• Exact Mass: 1879.59
• IUPAC Name: (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)ccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccc4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ccccc5[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4F)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H21N5O5.C25H19F3N4O4.C25H22N4O4.C24H19FN4O4/c1-37-18-11-8-16-13-32(24(34)19(16)12-18)14-27(25(35)30-26(36)31-27)17-9-6-15(7-10-17)22-23(33)29-21-5-3-2-4-20(21)28-22;1-36-18-7-4-15-12-32(21(33)19(15)11-18)13-24(22(34)30-23(35)31-24)16-5-2-14(3-6-16)20-10-17(8-9-29-20)25(26,27)28;1-15-9-10-26-12-21(15)16-3-6-18(7-4-16)25(23(31)27-24(32)28-25)14-29-13-17-5-8-19(33-2)11-20(17)22(29)30;1-33-17-9-6-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)16-7-4-14(5-8-16)20-19(25)3-2-10-26-20/h2-12H,13-14H2,1H3,(H,29,33)(H2,30,31,35,36);2-11H,12-13H2,1H3,(H2,30,31,34,35);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11H,12-13H2,1H3,(H2,27,28,31,32)/t27-;24-;25-;24-/m0000/s1
• InChIKey: NMWQGICEAYZELX-ZHGKFZIPSA-N
• XLogP: 11.10
• TPSA: 435.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.85
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (CID 159826341) is (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(C(F)(F)F)ccn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccc4C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ccccc5[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccc4F)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is NMWQGICEAYZELX-ZHGKFZIPSA-N. The full InChI is InChI=1S/C27H21N5O5.C25H19F3N4O4.C25H22N4O4.C24H19FN4O4/c1-37-18-11-8-16-13-32(24(34)19(16)12-18)14-27(25(35)30-26(36)31-27)17-9-6-15(7-10-17)22-23(33)29-21-5-3-2-4-20(21)28-22;1-36-18-7-4-15-12-32(21(33)19(15)11-18)13-24(22(34)30-23(35)31-24)16-5-2-14(3-6-16)20-10-17(8-9-29-20)25(26,27)28;1-15-9-10-26-12-21(15)16-3-6-18(7-4-16)25(23(31)27-24(32)28-25)14-29-13-17-5-8-19(33-2)11-20(17)22(29)30;1-33-17-9-6-15-12-29(21(30)18(15)11-17)13-24(22(31)27-23(32)28-24)16-7-4-14(5-8-16)20-19(25)3-2-10-26-20/h2-12H,13-14H2,1H3,(H,29,33)(H2,30,31,35,36);2-11H,12-13H2,1H3,(H2,30,31,34,35);3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11H,12-13H2,1H3,(H2,27,28,31,32)/t27-;24-;25-;24-/m0000/s1.

What are the key properties of (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1880.85 g/mol, XLogP of 11.10, 20 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(3-fluoro-2-pyridinyl)phenyl]-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-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159826341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).