(5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C91H72F3N19O17 — CID 158518971

About (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 158518971) has the molecular formula C91H72F3N19O17 and a molecular weight of 1760.69 g/mol. Its IUPAC name is (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158518971
• Molecular Formula: C91H72F3N19O17
• Molecular Weight: 1760.69 g/mol
• Exact Mass: 1759.53
• IUPAC Name: (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)ccc3C#N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)c(F)cc3OC)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3C#N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4nnn(C(C)C)n4)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H22N8O4.C23H18N4O4.C22H17F2N3O5.C22H15FN4O4/c1-14(2)32-29-20(28-30-32)17-8-15(10-25-11-17)6-7-24(22(34)26-23(35)27-24)13-31-12-16-4-5-18(36-3)9-19(16)21(31)33;1-14-3-4-16(11-24)15(9-14)7-8-23(21(29)25-22(30)26-23)13-27-12-17-5-6-18(31-2)10-19(17)20(27)28;1-31-14-4-3-13-10-27(19(28)15(13)8-14)11-22(20(29)25-21(30)26-22)6-5-12-7-16(23)17(24)9-18(12)32-2;1-31-17-5-3-14-11-27(19(28)18(14)9-17)12-22(20(29)25-21(30)26-22)7-6-13-2-4-16(23)8-15(13)10-24/h4-5,8-11,14H,12-13H2,1-3H3,(H2,26,27,34,35);3-6,9-10H,12-13H2,1-2H3,(H2,25,26,29,30);3-4,7-9H,10-11H2,1-2H3,(H2,25,26,29,30);2-5,8-9H,11-12H2,1H3,(H2,25,26,29,30)/t24-;23-;2*22-/m1111/s1
• InChIKey: HLZFLKSPVGBKAX-DIVZCKBUSA-N
• XLogP: 5.23
• TPSA: 464.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.69
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 158518971) is (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)ccc3C#N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(F)c(F)cc3OC)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3C#N)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4nnn(C(C)C)n4)c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is HLZFLKSPVGBKAX-DIVZCKBUSA-N. The full InChI is InChI=1S/C24H22N8O4.C23H18N4O4.C22H17F2N3O5.C22H15FN4O4/c1-14(2)32-29-20(28-30-32)17-8-15(10-25-11-17)6-7-24(22(34)26-23(35)27-24)13-31-12-16-4-5-18(36-3)9-19(16)21(31)33;1-14-3-4-16(11-24)15(9-14)7-8-23(21(29)25-22(30)26-23)13-27-12-17-5-6-18(31-2)10-19(17)20(27)28;1-31-14-4-3-13-10-27(19(28)15(13)8-14)11-22(20(29)25-21(30)26-22)6-5-12-7-16(23)17(24)9-18(12)32-2;1-31-17-5-3-14-11-27(19(28)18(14)9-17)12-22(20(29)25-21(30)26-22)7-6-13-2-4-16(23)8-15(13)10-24/h4-5,8-11,14H,12-13H2,1-3H3,(H2,26,27,34,35);3-6,9-10H,12-13H2,1-2H3,(H2,25,26,29,30);3-4,7-9H,10-11H2,1-2H3,(H2,25,26,29,30);2-5,8-9H,11-12H2,1H3,(H2,25,26,29,30)/t24-;23-;2*22-/m1111/s1.

What are the key properties of (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 1760.69 g/mol, XLogP of 5.23, 15 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(4,5-difluoro-2-methoxyphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-fluoro-2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzonitrile;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-4-methylbenzonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-propan-2-yltetrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158518971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).