2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide

C87H75N21O27S3 — CID 157106451

About 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide

2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide (PubChem CID 157106451) has the molecular formula C87H75N21O27S3 and a molecular weight of 1942.88 g/mol. Its IUPAC name is 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide
• PubChem CID: 157106451
• Molecular Formula: C87H75N21O27S3
• Molecular Weight: 1942.88 g/mol
• Exact Mass: 1941.43
• IUPAC Name: 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)NS(C)(=O)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(N)c(C(=O)NS(C)(=O)=O)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C(=O)NS(C)(=O)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3cnc(N)c(C(=O)O)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C22H20N6O7S.2C22H19N5O7S.C21H17N5O6/c1-35-14-4-3-13-10-28(19(30)15(13)8-14)11-22(20(31)25-21(32)26-22)6-5-12-7-16(17(23)24-9-12)18(29)27-36(2,33)34;2*1-34-15-5-4-14-11-27(19(29)16(14)9-15)12-22(20(30)24-21(31)25-22)8-7-13-3-6-17(23-10-13)18(28)26-35(2,32)33;1-32-13-3-2-12-9-26(17(27)14(12)7-13)10-21(19(30)24-20(31)25-21)5-4-11-6-15(18(28)29)16(22)23-8-11/h3-4,7-9H,10-11H2,1-2H3,(H2,23,24)(H,27,29)(H2,25,26,31,32);2*3-6,9-10H,11-12H2,1-2H3,(H,26,28)(H2,24,25,30,31);2-3,6-8H,9-10H2,1H3,(H2,22,23)(H,28,29)(H2,24,25,30,31)/t3*22-;21-/m1100/s1
• InChIKey: AGIWYHOPQCOAAL-VNNUJNDMSA-N
• XLogP: -2.37
• TPSA: 681.58 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.88
LogP ≤ 5	-2.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

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 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide?

The IUPAC name of 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide (CID 157106451) is 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide.

What is the SMILES notation for 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide?

The canonical SMILES for 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)NS(C)(=O)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(N)c(C(=O)NS(C)(=O)=O)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3ccc(C(=O)NS(C)(=O)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@]1(C#Cc3cnc(N)c(C(=O)O)c3)NC(=O)NC1=O)C2.

What is the InChIKey of 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide?

The InChIKey is AGIWYHOPQCOAAL-VNNUJNDMSA-N. The full InChI is InChI=1S/C22H20N6O7S.2C22H19N5O7S.C21H17N5O6/c1-35-14-4-3-13-10-28(19(30)15(13)8-14)11-22(20(31)25-21(32)26-22)6-5-12-7-16(17(23)24-9-12)18(29)27-36(2,33)34;2*1-34-15-5-4-14-11-27(19(29)16(14)9-15)12-22(20(30)24-21(31)25-22)8-7-13-3-6-17(23-10-13)18(28)26-35(2,32)33;1-32-13-3-2-12-9-26(17(27)14(12)7-13)10-21(19(30)24-20(31)25-21)5-4-11-6-15(18(28)29)16(22)23-8-11/h3-4,7-9H,10-11H2,1-2H3,(H2,23,24)(H,27,29)(H2,25,26,31,32);2*3-6,9-10H,11-12H2,1-2H3,(H,26,28)(H2,24,25,30,31);2-3,6-8H,9-10H2,1H3,(H2,22,23)(H,28,29)(H2,24,25,30,31)/t3*22-;21-/m1100/s1.

What are the key properties of 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide?

2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide has a molecular weight of 1942.88 g/mol, XLogP of -2.37, 19 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-3-carboxamide;2-amino-5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carboxylic acid;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 157106451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).