(5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione

C107H91N23O25S3 — CID 158209991

About (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 158209991) has the molecular formula C107H91N23O25S3 and a molecular weight of 2195.24 g/mol. Its IUPAC name is (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158209991
• Molecular Formula: C107H91N23O25S3
• Molecular Weight: 2195.24 g/mol
• Exact Mass: 2193.57
• IUPAC Name: (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(OC)cc4sc(N)nc34)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(S(N)(=O)=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3S(N)(=O)=O)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cn(C)c(C)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4[nH]ccc4c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H19N5O5S.C22H17N5O4.2C21H18N4O6S.C20H19N5O4/c1-32-14-4-3-13-10-28(19(29)16(13)8-14)11-23(20(30)26-22(31)27-23)6-5-12-7-15(33-2)9-17-18(12)25-21(24)34-17;1-31-16-3-2-15-11-27(19(28)17(15)9-16)12-22(20(29)25-21(30)26-22)6-4-13-8-14-5-7-23-18(14)24-10-13;1-31-15-5-4-14-11-25(18(26)17(14)10-15)12-21(19(27)23-20(28)24-21)9-8-13-2-6-16(7-3-13)32(22,29)30;1-31-15-7-6-14-11-25(18(26)16(14)10-15)12-21(19(27)23-20(28)24-21)9-8-13-4-2-3-5-17(13)32(22,29)30;1-12-21-14(10-24(12)2)6-7-20(18(27)22-19(28)23-20)11-25-9-13-4-5-15(29-3)8-16(13)17(25)26/h3-4,7-9H,10-11H2,1-2H3,(H2,24,25)(H2,26,27,30,31);2-3,5,7-10H,11-12H2,1H3,(H,23,24)(H2,25,26,29,30);2*2-7,10H,11-12H2,1H3,(H2,22,29,30)(H2,23,24,27,28);4-5,8,10H,9,11H2,1-3H3,(H2,22,23,27,28)/t23-;22-;2*21-;20-/m11111/s1
• InChIKey: GBYOHHYDUXGPOR-KYONWSNTSA-N
• XLogP: 2.82
• TPSA: 653.66 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.24
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

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-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione (CID 158209991) is (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(OC)cc4sc(N)nc34)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(S(N)(=O)=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3S(N)(=O)=O)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cn(C)c(C)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4[nH]ccc4c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is GBYOHHYDUXGPOR-KYONWSNTSA-N. The full InChI is InChI=1S/C23H19N5O5S.C22H17N5O4.2C21H18N4O6S.C20H19N5O4/c1-32-14-4-3-13-10-28(19(29)16(13)8-14)11-23(20(30)26-22(31)27-23)6-5-12-7-15(33-2)9-17-18(12)25-21(24)34-17;1-31-16-3-2-15-11-27(19(28)17(15)9-16)12-22(20(29)25-21(30)26-22)6-4-13-8-14-5-7-23-18(14)24-10-13;1-31-15-5-4-14-11-25(18(26)17(14)10-15)12-21(19(27)23-20(28)24-21)9-8-13-2-6-16(7-3-13)32(22,29)30;1-31-15-7-6-14-11-25(18(26)16(14)10-15)12-21(19(27)23-20(28)24-21)9-8-13-4-2-3-5-17(13)32(22,29)30;1-12-21-14(10-24(12)2)6-7-20(18(27)22-19(28)23-20)11-25-9-13-4-5-15(29-3)8-16(13)17(25)26/h3-4,7-9H,10-11H2,1-2H3,(H2,24,25)(H2,26,27,30,31);2-3,5,7-10H,11-12H2,1H3,(H,23,24)(H2,25,26,29,30);2*2-7,10H,11-12H2,1H3,(H2,22,29,30)(H2,23,24,27,28);4-5,8,10H,9,11H2,1-3H3,(H2,22,23,27,28)/t23-;22-;2*21-;20-/m11111/s1.

What are the key properties of (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 2195.24 g/mol, XLogP of 2.82, 18 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;2-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzenesulfonamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).