(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione

C98H81F4N19O17 — CID 157438047

About (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 157438047) has the molecular formula C98H81F4N19O17 and a molecular weight of 1872.83 g/mol. Its IUPAC name is (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 157438047
• Molecular Formula: C98H81F4N19O17
• Molecular Weight: 1872.83 g/mol
• Exact Mass: 1871.60
• IUPAC Name: (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5ncccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccn4)cc3)NC(=O)NC1=O)C2.Cc1n[nH]c(C)c1-c1ccc([C@]2(CN3Cc4ccc(OC(F)F)cc4C3=O)NC(=O)NC2=O)cc1.Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(OC(F)F)cc4C3=O)NC(=O)NC2=O)cc1
• InChI: InChI=1S/C27H21N5O4.C24H21F2N5O4.C24H20F2N4O5.C23H19N5O4/c1-36-21-9-6-18-14-32(24(33)22(18)12-21)15-27(25(34)30-26(35)31-27)20-7-4-16(5-8-20)19-11-17-3-2-10-28-23(17)29-13-19;1-12-19(13(2)30-29-12)14-3-6-16(7-4-14)24(21(33)27-23(34)28-24)11-31-10-15-5-8-17(35-22(25)26)9-18(15)20(31)32;1-12-19(13(2)35-29-12)14-3-6-16(7-4-14)24(21(32)27-23(33)28-24)11-30-10-15-5-8-17(34-22(25)26)9-18(15)20(30)31;1-32-17-8-5-15-12-28(20(29)18(15)11-17)13-23(21(30)26-22(31)27-23)16-6-3-14(4-7-16)19-24-9-2-10-25-19/h2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,22H,10-11H2,1-2H3,(H,29,30)(H2,27,28,33,34);3-9,22H,10-11H2,1-2H3,(H2,27,28,32,33);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t27-;2*24-;23-/m0000/s1
• InChIKey: BRIKPEUCJYMQQP-UJJOASOCSA-N
• XLogP: 11.08
• TPSA: 457.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.83
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione (CID 157438047) is (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5ncccc5c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ncccn4)cc3)NC(=O)NC1=O)C2.Cc1n[nH]c(C)c1-c1ccc([C@]2(CN3Cc4ccc(OC(F)F)cc4C3=O)NC(=O)NC2=O)cc1.Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(OC(F)F)cc4C3=O)NC(=O)NC2=O)cc1.

What is the InChIKey of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is BRIKPEUCJYMQQP-UJJOASOCSA-N. The full InChI is InChI=1S/C27H21N5O4.C24H21F2N5O4.C24H20F2N4O5.C23H19N5O4/c1-36-21-9-6-18-14-32(24(33)22(18)12-21)15-27(25(34)30-26(35)31-27)20-7-4-16(5-8-20)19-11-17-3-2-10-28-23(17)29-13-19;1-12-19(13(2)30-29-12)14-3-6-16(7-4-14)24(21(33)27-23(34)28-24)11-31-10-15-5-8-17(35-22(25)26)9-18(15)20(31)32;1-12-19(13(2)35-29-12)14-3-6-16(7-4-14)24(21(32)27-23(33)28-24)11-30-10-15-5-8-17(34-22(25)26)9-18(15)20(30)31;1-32-17-8-5-15-12-28(20(29)18(15)11-17)13-23(21(30)26-22(31)27-23)16-6-3-14(4-7-16)19-24-9-2-10-25-19/h2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,22H,10-11H2,1-2H3,(H,29,30)(H2,27,28,33,34);3-9,22H,10-11H2,1-2H3,(H2,27,28,32,33);2-11H,12-13H2,1H3,(H2,26,27,30,31)/t27-;2*24-;23-/m0000/s1.

What are the key properties of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione?

(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 1872.83 g/mol, XLogP of 11.08, 22 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 157438047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).