(5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione

C100H80N20O18 — CID 159375699

About (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 159375699) has the molecular formula C100H80N20O18 and a molecular weight of 1849.86 g/mol. Its IUPAC name is (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 159375699
• Molecular Formula: C100H80N20O18
• Molecular Weight: 1849.86 g/mol
• Exact Mass: 1848.60
• IUPAC Name: (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccc(C)[nH]c4=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(C)c4O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4ccnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cncn4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H22N4O5.C26H21N5O5.C24H19N5O4.C23H18N6O4/c1-16-4-3-5-20(23(16)32)22-9-6-17(13-28-22)10-11-27(25(34)29-26(35)30-27)15-31-14-18-7-8-19(36-2)12-21(18)24(31)33;1-15-3-7-19(22(32)28-15)21-8-4-16(12-27-21)9-10-26(24(34)29-25(35)30-26)14-31-13-17-5-6-18(36-2)11-20(17)23(31)33;1-33-19-7-4-17-13-29(21(30)20(17)12-19)14-24(22(31)26-23(32)27-24)9-8-16-2-5-18(6-3-16)28-11-10-25-15-28;1-33-18-7-4-16-11-28(20(30)19(16)10-18)12-23(21(31)26-22(32)27-23)9-8-15-2-5-17(6-3-15)29-14-24-13-25-29/h3-9,12-13,32H,14-15H2,1-2H3,(H2,29,30,34,35);3-8,11-12H,13-14H2,1-2H3,(H,28,32)(H2,29,30,34,35);2-7,10-12,15H,13-14H2,1H3,(H2,26,27,31,32);2-7,10,13-14H,11-12H2,1H3,(H2,26,27,31,32)/t27-;26-;24-;23-/m1111/s1
• InChIKey: LKHDGONKGVYLFJ-SISXGAQASA-N
• XLogP: 6.02
• TPSA: 478.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.86
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

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-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione (CID 159375699) is (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccc(C)[nH]c4=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(C)c4O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4ccnc4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cncn4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is LKHDGONKGVYLFJ-SISXGAQASA-N. The full InChI is InChI=1S/C27H22N4O5.C26H21N5O5.C24H19N5O4.C23H18N6O4/c1-16-4-3-5-20(23(16)32)22-9-6-17(13-28-22)10-11-27(25(34)29-26(35)30-27)15-31-14-18-7-8-19(36-2)12-21(18)24(31)33;1-15-3-7-19(22(32)28-15)21-8-4-16(12-27-21)9-10-26(24(34)29-25(35)30-26)14-31-13-17-5-6-18(36-2)11-20(17)23(31)33;1-33-19-7-4-17-13-29(21(30)20(17)12-19)14-24(22(31)26-23(32)27-24)9-8-16-2-5-18(6-3-16)28-11-10-25-15-28;1-33-18-7-4-16-11-28(20(30)19(16)10-18)12-23(21(31)26-22(32)27-23)9-8-15-2-5-17(6-3-15)29-14-24-13-25-29/h3-9,12-13,32H,14-15H2,1-2H3,(H2,29,30,34,35);3-8,11-12H,13-14H2,1-2H3,(H,28,32)(H2,29,30,34,35);2-7,10-12,15H,13-14H2,1H3,(H2,26,27,31,32);2-7,10,13-14H,11-12H2,1H3,(H2,26,27,31,32)/t27-;26-;24-;23-/m1111/s1.

What are the key properties of (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 1849.86 g/mol, XLogP of 6.02, 16 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[6-(2-hydroxy-3-methylphenyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-imidazol-1-ylphenyl)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-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(1,2,4-triazol-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159375699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).