(5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione

C89H74F2N14O16S — CID 158486048

About (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 158486048) has the molecular formula C89H74F2N14O16S and a molecular weight of 1665.72 g/mol. Its IUPAC name is (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158486048
• Molecular Formula: C89H74F2N14O16S
• Molecular Weight: 1665.72 g/mol
• Exact Mass: 1664.51
• IUPAC Name: (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)ccc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)ccc3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)nc3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4sc(C)nc4c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H18N4O4S.2C22H18FN3O4.C22H20N4O4/c1-13-24-18-9-14(3-6-19(18)32-13)7-8-23(21(29)25-22(30)26-23)12-27-11-15-4-5-16(31-2)10-17(15)20(27)28;1-13-3-6-18(23)14(9-13)7-8-22(20(28)24-21(29)25-22)12-26-11-15-4-5-16(30-2)10-17(15)19(26)27;1-13-3-5-16(23)9-14(13)7-8-22(20(28)24-21(29)25-22)12-26-11-15-4-6-17(30-2)10-18(15)19(26)27;1-13-4-5-15(14(2)23-13)8-9-22(20(28)24-21(29)25-22)12-26-11-16-6-7-17(30-3)10-18(16)19(26)27/h3-6,9-10H,11-12H2,1-2H3,(H2,25,26,29,30);2*3-6,9-10H,11-12H2,1-2H3,(H2,24,25,28,29);4-7,10H,11-12H2,1-3H3,(H2,24,25,28,29)/t23-;3*22-/m1111/s1
• InChIKey: HICNNELTFIUVCB-XOKWIJTKSA-N
• XLogP: 6.95
• TPSA: 376.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.72
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione (CID 158486048) is (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)ccc3F)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)ccc3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)nc3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4sc(C)nc4c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is HICNNELTFIUVCB-XOKWIJTKSA-N. The full InChI is InChI=1S/C23H18N4O4S.2C22H18FN3O4.C22H20N4O4/c1-13-24-18-9-14(3-6-19(18)32-13)7-8-23(21(29)25-22(30)26-23)12-27-11-15-4-5-16(31-2)10-17(15)20(27)28;1-13-3-6-18(23)14(9-13)7-8-22(20(28)24-21(29)25-22)12-26-11-15-4-5-16(30-2)10-17(15)19(26)27;1-13-3-5-16(23)9-14(13)7-8-22(20(28)24-21(29)25-22)12-26-11-15-4-6-17(30-2)10-18(15)19(26)27;1-13-4-5-15(14(2)23-13)8-9-22(20(28)24-21(29)25-22)12-26-11-16-6-7-17(30-3)10-18(16)19(26)27/h3-6,9-10H,11-12H2,1-2H3,(H2,25,26,29,30);2*3-6,9-10H,11-12H2,1-2H3,(H2,24,25,28,29);4-7,10H,11-12H2,1-3H3,(H2,24,25,28,29)/t23-;3*22-/m1111/s1.

What are the key properties of (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1665.72 g/mol, XLogP of 6.95, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2,6-dimethyl-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2-fluoro-5-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(5-fluoro-2-methylphenyl)ethynyl]-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-[2-(2-methyl-1,3-benzothiazol-5-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).