(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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione

C92H73N19O18S — CID 158663591

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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 158663591) has the molecular formula C92H73N19O18S and a molecular weight of 1764.78 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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158663591
• Molecular Formula: C92H73N19O18S
• Molecular Weight: 1764.78 g/mol
• Exact Mass: 1763.51
• 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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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#Cc3ccc4nccc(OC)c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc4cc[nH]c34)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nccc4cc[nH]c34)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H20N4O5.C23H19N5O5S.2C22H17N5O4/c1-33-17-5-4-16-13-29(22(30)18(16)12-17)14-25(23(31)27-24(32)28-25)9-7-15-3-6-20-19(11-15)21(34-2)8-10-26-20;1-32-14-4-3-13-10-28(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;1-31-15-3-2-14-11-27(19(28)16(14)10-15)12-22(20(29)25-21(30)26-22)7-4-17-18-13(5-8-23-17)6-9-24-18;1-31-16-3-2-15-11-27(19(28)17(15)8-16)12-22(20(29)25-21(30)26-22)6-4-13-9-23-10-14-5-7-24-18(13)14/h3-6,8,10-12H,13-14H2,1-2H3,(H2,27,28,31,32);3-4,7-9H,10-11H2,1-2H3,(H2,24,25)(H2,26,27,30,31);2-3,5-6,8-10,24H,11-12H2,1H3,(H2,25,26,29,30);2-3,5,7-10,24H,11-12H2,1H3,(H2,25,26,29,30)/t25-;23-;2*22-/m1111/s1
• InChIKey: IDBHXOITQDARCX-RRBOWBLCSA-N
• XLogP: 5.63
• TPSA: 478.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.78
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione (CID 158663591) 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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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#Cc3ccc4nccc(OC)c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc4cc[nH]c34)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nccc4cc[nH]c34)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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is IDBHXOITQDARCX-RRBOWBLCSA-N. The full InChI is InChI=1S/C25H20N4O5.C23H19N5O5S.2C22H17N5O4/c1-33-17-5-4-16-13-29(22(30)18(16)12-17)14-25(23(31)27-24(32)28-25)9-7-15-3-6-20-19(11-15)21(34-2)8-10-26-20;1-32-14-4-3-13-10-28(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;1-31-15-3-2-14-11-27(19(28)16(14)10-15)12-22(20(29)25-21(30)26-22)7-4-17-18-13(5-8-23-17)6-9-24-18;1-31-16-3-2-15-11-27(19(28)17(15)8-16)12-22(20(29)25-21(30)26-22)6-4-13-9-23-10-14-5-7-24-18(13)14/h3-6,8,10-12H,13-14H2,1-2H3,(H2,27,28,31,32);3-4,7-9H,10-11H2,1-2H3,(H2,24,25)(H2,26,27,30,31);2-3,5-6,8-10,24H,11-12H2,1H3,(H2,25,26,29,30);2-3,5,7-10,24H,11-12H2,1H3,(H2,25,26,29,30)/t25-;23-;2*22-/m1111/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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1764.78 g/mol, XLogP of 5.63, 14 rotatable bonds, 11 hydrogen bond donors, and 24 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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methoxyquinolin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(1H-pyrrolo[3,2-c]pyridin-7-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158663591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).