(5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione

C92H71N23O19 — CID 157243113

About (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione (PubChem CID 157243113) has the molecular formula C92H71N23O19 and a molecular weight of 1802.72 g/mol. Its IUPAC name is (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 157243113
• Molecular Formula: C92H71N23O19
• Molecular Weight: 1802.72 g/mol
• Exact Mass: 1801.53
• IUPAC Name: (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione
• SMILES: CNC(=O)c1ccc2cncc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)c2n1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc(C)[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc4ccc(C(=O)O)nc34)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H20N6O5.C24H17N5O6.C22H18N6O4.C21H16N6O4/c1-26-21(32)19-6-4-14-10-27-11-15(20(14)28-19)7-8-25(23(34)29-24(35)30-25)13-31-12-16-3-5-17(36-2)9-18(16)22(31)33;1-35-16-4-2-15-11-29(20(30)17(15)8-16)12-24(22(33)27-23(34)28-24)7-6-14-10-25-9-13-3-5-18(21(31)32)26-19(13)14;1-12-24-17-7-13(9-23-18(17)25-12)5-6-22(20(30)26-21(31)27-22)11-28-10-14-3-4-15(32-2)8-16(14)19(28)29;1-31-14-3-2-13-9-27(18(28)15(13)7-14)10-21(19(29)25-20(30)26-21)5-4-12-6-16-17(22-8-12)24-11-23-16/h3-6,9-11H,12-13H2,1-2H3,(H,26,32)(H2,29,30,34,35);2-5,8-10H,11-12H2,1H3,(H,31,32)(H2,27,28,33,34);3-4,7-9H,10-11H2,1-2H3,(H,23,24,25)(H2,26,27,30,31);2-3,6-8,11H,9-10H2,1H3,(H,22,23,24)(H2,25,26,29,30)/t25-;24-;22-;21-/m1111/s1
• InChIKey: AVKZGAWCYZNPSI-LHOHDKFGSA-N
• XLogP: 2.92
• TPSA: 552.06 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.72
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

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-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione (CID 157243113) is (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione is CNC(=O)c1ccc2cncc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)c2n1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc(C)[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc4nc[nH]c4c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc4ccc(C(=O)O)nc34)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is AVKZGAWCYZNPSI-LHOHDKFGSA-N. The full InChI is InChI=1S/C25H20N6O5.C24H17N5O6.C22H18N6O4.C21H16N6O4/c1-26-21(32)19-6-4-14-10-27-11-15(20(14)28-19)7-8-25(23(34)29-24(35)30-25)13-31-12-16-3-5-17(36-2)9-18(16)22(31)33;1-35-16-4-2-15-11-29(20(30)17(15)8-16)12-24(22(33)27-23(34)28-24)7-6-14-10-25-9-13-3-5-18(21(31)32)26-19(13)14;1-12-24-17-7-13(9-23-18(17)25-12)5-6-22(20(30)26-21(31)27-22)11-28-10-14-3-4-15(32-2)8-16(14)19(28)29;1-31-14-3-2-13-9-27(18(28)15(13)7-14)10-21(19(29)25-20(30)26-21)5-4-12-6-16-17(22-8-12)24-11-23-16/h3-6,9-11H,12-13H2,1-2H3,(H,26,32)(H2,29,30,34,35);2-5,8-10H,11-12H2,1H3,(H,31,32)(H2,27,28,33,34);3-4,7-9H,10-11H2,1-2H3,(H,23,24,25)(H2,26,27,30,31);2-3,6-8,11H,9-10H2,1H3,(H,22,23,24)(H2,25,26,29,30)/t25-;24-;22-;21-/m1111/s1.

What are the key properties of (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1802.72 g/mol, XLogP of 2.92, 14 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methyl-1,6-naphthyridine-2-carboxamide;8-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-1,6-naphthyridine-2-carboxylic acid;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157243113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).