N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione

C87H69N17O19S — CID 157077350

About N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione

N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 157077350) has the molecular formula C87H69N17O19S and a molecular weight of 1688.68 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 157077350
• Molecular Formula: C87H69N17O19S
• Molecular Weight: 1688.68 g/mol
• Exact Mass: 1687.47
• IUPAC Name: N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C#N)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C(=O)NC4CC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3cncc(O)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H22N4O5.C22H17N5O5.C20H16N4O5.C20H14N4O4S/c1-34-19-9-6-17-13-29(22(31)20(17)12-19)14-25(23(32)27-24(33)28-25)11-10-15-2-4-16(5-3-15)21(30)26-18-7-8-18;1-32-14-4-3-13-10-27(18(28)15(13)9-14)11-22(19(29)25-21(31)26-22)7-6-12-2-5-16-17(8-12)24-20(30)23-16;1-29-15-3-2-13-10-24(17(26)16(13)7-15)11-20(18(27)22-19(28)23-20)5-4-12-6-14(25)9-21-8-12;1-28-13-3-2-12-10-24(17(25)16(12)8-13)11-20(18(26)22-19(27)23-20)7-6-14-4-5-15(9-21)29-14/h2-6,9,12,18H,7-8,13-14H2,1H3,(H,26,30)(H2,27,28,32,33);2-5,8-9H,10-11H2,1H3,(H2,23,24,30)(H2,25,26,29,31);2-3,6-9,25H,10-11H2,1H3,(H2,22,23,27,28);2-5,8H,10-11H2,1H3,(H2,22,23,26,27)/t25-;22-;2*20-/m0100/s1
• InChIKey: ADCXWATVQGVNHT-BENNOIQGSA-N
• XLogP: 3.22
• TPSA: 485.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1688.68
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

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 N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione (CID 157077350) is N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C#N)s3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C(=O)NC4CC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3cncc(O)c3)NC(=O)NC1=O)C2.

What is the InChIKey of N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is ADCXWATVQGVNHT-BENNOIQGSA-N. The full InChI is InChI=1S/C25H22N4O5.C22H17N5O5.C20H16N4O5.C20H14N4O4S/c1-34-19-9-6-17-13-29(22(31)20(17)12-19)14-25(23(32)27-24(33)28-25)11-10-15-2-4-16(5-3-15)21(30)26-18-7-8-18;1-32-14-4-3-13-10-27(18(28)15(13)9-14)11-22(19(29)25-21(31)26-22)7-6-12-2-5-16-17(8-12)24-20(30)23-16;1-29-15-3-2-13-10-24(17(26)16(13)7-15)11-20(18(27)22-19(28)23-20)5-4-12-6-14(25)9-21-8-12;1-28-13-3-2-12-10-24(17(25)16(12)8-13)11-20(18(26)22-19(27)23-20)7-6-14-4-5-15(9-21)29-14/h2-6,9,12,18H,7-8,13-14H2,1H3,(H,26,30)(H2,27,28,32,33);2-5,8-9H,10-11H2,1H3,(H2,23,24,30)(H2,25,26,29,31);2-3,6-9,25H,10-11H2,1H3,(H2,22,23,27,28);2-5,8H,10-11H2,1H3,(H2,22,23,26,27)/t25-;22-;2*20-/m0100/s1.

What are the key properties of N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione?

N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1688.68 g/mol, XLogP of 3.22, 14 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide;(5S)-5-[2-(5-hydroxy-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]thiophene-2-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157077350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).