5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione

C64H58BrN13O13 — CID 159889667

About 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione

5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 159889667) has the molecular formula C64H58BrN13O13 and a molecular weight of 1297.15 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione
• PubChem CID: 159889667
• Molecular Formula: C64H58BrN13O13
• Molecular Weight: 1297.15 g/mol
• Exact Mass: 1295.35
• IUPAC Name: 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(Br)cn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H19N5O4.C23H24N4O5.C18H15BrN4O4/c1-32-17-6-4-15-12-28(20(29)18(15)9-17)13-23(21(30)26-22(31)27-23)16-5-7-19(25-11-16)14-3-2-8-24-10-14;1-31-18-7-2-15-13-27(20(28)19(15)12-18)14-23(21(29)24-22(30)25-23)16-3-5-17(6-4-16)26-8-10-32-11-9-26;1-27-12-4-2-10-8-23(15(24)13(10)6-12)9-18(16(25)21-17(26)22-18)14-5-3-11(19)7-20-14/h2-11H,12-13H2,1H3,(H2,26,27,30,31);2-7,12H,8-11,13-14H2,1H3,(H2,24,25,29,30);2-7H,8-9H2,1H3,(H2,21,22,25,26)/t;23-;/m.0./s1
• InChIKey: NUOWZYZEJFXGLN-UUPOELIGSA-N
• XLogP: 4.61
• TPSA: 314.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.15
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione?

The IUPAC name of 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione (CID 159889667) is 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cccnc4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(CC1(c3ccc(Br)cn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione?

The InChIKey is NUOWZYZEJFXGLN-UUPOELIGSA-N. The full InChI is InChI=1S/C23H19N5O4.C23H24N4O5.C18H15BrN4O4/c1-32-17-6-4-15-12-28(20(29)18(15)9-17)13-23(21(30)26-22(31)27-23)16-5-7-19(25-11-16)14-3-2-8-24-10-14;1-31-18-7-2-15-13-27(20(28)19(15)12-18)14-23(21(29)24-22(30)25-23)16-3-5-17(6-4-16)26-8-10-32-11-9-26;1-27-12-4-2-10-8-23(15(24)13(10)6-12)9-18(16(25)21-17(26)22-18)14-5-3-11(19)7-20-14/h2-11H,12-13H2,1H3,(H2,26,27,30,31);2-7,12H,8-11,13-14H2,1H3,(H2,24,25,29,30);2-7H,8-9H2,1H3,(H2,21,22,25,26)/t;23-;/m.0./s1.

What are the key properties of 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione?

5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 1297.15 g/mol, XLogP of 4.61, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-2-pyridinyl)-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-morpholin-4-ylphenyl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-pyridin-3-yl-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 159889667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).