(5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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

C99H82F4N16O16 — CID 160943795

About (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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 160943795) has the molecular formula C99H82F4N16O16 and a molecular weight of 1827.83 g/mol. Its IUPAC name is (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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: 160943795
• Molecular Formula: C99H82F4N16O16
• Molecular Weight: 1827.83 g/mol
• Exact Mass: 1826.60
• IUPAC Name: (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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(-c4ccc(C)nc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccncc4F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccc4C)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H19F3N4O4.2C25H22N4O4.C24H19FN4O4/c1-36-18-7-4-15-12-32(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;1-15-3-4-17(12-26-15)16-5-8-19(9-6-16)25(23(31)27-24(32)28-25)14-29-13-18-7-10-20(33-2)11-21(18)22(29)30;1-33-17-7-4-15-12-29(21(30)19(15)10-17)13-24(22(31)27-23(32)28-24)16-5-2-14(3-6-16)18-8-9-26-11-20(18)25/h2-11H,12-13H2,1H3,(H2,30,31,34,35);2*3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11H,12-13H2,1H3,(H2,27,28,31,32)/t24-;2*25-;24-/m0000/s1
• InChIKey: SUVRXECRJHRHQL-GONOSRMYSA-N
• XLogP: 11.57
• TPSA: 402.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1827.83
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

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-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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 160943795) is (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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(-c4ccc(C)nc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccncc4F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccc4C)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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 SUVRXECRJHRHQL-GONOSRMYSA-N. The full InChI is InChI=1S/C25H19F3N4O4.2C25H22N4O4.C24H19FN4O4/c1-36-18-7-4-15-12-32(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;1-15-3-4-17(12-26-15)16-5-8-19(9-6-16)25(23(31)27-24(32)28-25)14-29-13-18-7-10-20(33-2)11-21(18)22(29)30;1-33-17-7-4-15-12-29(21(30)19(15)10-17)13-24(22(31)27-23(32)28-24)16-5-2-14(3-6-16)18-8-9-26-11-20(18)25/h2-11H,12-13H2,1H3,(H2,30,31,34,35);2*3-12H,13-14H2,1-2H3,(H2,27,28,31,32);2-11H,12-13H2,1H3,(H2,27,28,31,32)/t24-;2*25-;24-/m0000/s1.

What are the key properties of (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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-4-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-(6-methyl-3-pyridinyl)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 1827.83 g/mol, XLogP of 11.57, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(3-fluoro-4-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-(6-methyl-3-pyridinyl)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 160943795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).