(5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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

C89H74N20O17 — CID 159947644

About (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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

(5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 159947644) has the molecular formula C89H74N20O17 and a molecular weight of 1695.69 g/mol. Its IUPAC name is (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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: (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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: 159947644
• Molecular Formula: C89H74N20O17
• Molecular Weight: 1695.69 g/mol
• Exact Mass: 1694.55
• IUPAC Name: (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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(CC1(C#Cc3cccnc3)NC(=O)NC1=O)CC2.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#Cc3ccc4nc(C)cn4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc(C)[nH]c4c3C)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H20N6O4.C23H19N5O4.C22H17N5O5.C21H18N4O4/c1-12-14(9-24-19-18(12)25-13(2)26-19)6-7-23(21(31)27-22(32)28-23)11-29-10-15-4-5-16(33-3)8-17(15)20(29)30;1-14-10-27-11-15(3-6-19(27)24-14)7-8-23(21(30)25-22(31)26-23)13-28-12-16-4-5-17(32-2)9-18(16)20(28)29;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;1-29-16-5-4-15-7-10-25(18(26)17(15)11-16)13-21(19(27)23-20(28)24-21)8-6-14-3-2-9-22-12-14/h4-5,8-9H,10-11H2,1-3H3,(H,24,25,26)(H2,27,28,31,32);3-6,9-11H,12-13H2,1-2H3,(H2,25,26,30,31);2-5,8-9H,10-11H2,1H3,(H2,23,24,30)(H2,25,26,29,31);2-5,9,11-12H,7,10,13H2,1H3,(H2,23,24,27,28)/t2*23-;22-;/m111./s1
• InChIKey: OBRRCJSTSHMFRB-HLSLJZBXSA-N
• XLogP: 3.57
• TPSA: 471.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.69
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	11
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 (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 159947644) is (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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(CC1(C#Cc3cccnc3)NC(=O)NC1=O)CC2.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#Cc3ccc4nc(C)cn4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc(C)[nH]c4c3C)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 OBRRCJSTSHMFRB-HLSLJZBXSA-N. The full InChI is InChI=1S/C23H20N6O4.C23H19N5O4.C22H17N5O5.C21H18N4O4/c1-12-14(9-24-19-18(12)25-13(2)26-19)6-7-23(21(31)27-22(32)28-23)11-29-10-15-4-5-16(33-3)8-17(15)20(29)30;1-14-10-27-11-15(3-6-19(27)24-14)7-8-23(21(30)25-22(31)26-23)13-28-12-16-4-5-17(32-2)9-18(16)20(28)29;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;1-29-16-5-4-15-7-10-25(18(26)17(15)11-16)13-21(19(27)23-20(28)24-21)8-6-14-3-2-9-22-12-14/h4-5,8-9H,10-11H2,1-3H3,(H,24,25,26)(H2,27,28,31,32);3-6,9-11H,12-13H2,1-2H3,(H2,25,26,30,31);2-5,8-9H,10-11H2,1H3,(H2,23,24,30)(H2,25,26,29,31);2-5,9,11-12H,7,10,13H2,1H3,(H2,23,24,27,28)/t2*23-;22-;/m111./s1.

What are the key properties of (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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?

(5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 1695.69 g/mol, XLogP of 3.57, 12 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(2,7-dimethyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylimidazo[1,2-a]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione;(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 159947644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).