(5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

C115H100N26O21 — CID 157193962

About (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 157193962) has the molecular formula C115H100N26O21 and a molecular weight of 2182.23 g/mol. Its IUPAC name is (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 157193962
• Molecular Formula: C115H100N26O21
• Molecular Weight: 2182.23 g/mol
• Exact Mass: 2180.76
• IUPAC Name: (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-n4cccn4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(C#N)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(C4(N)CC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(N4CCCC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(N4CCOCC4)c3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H23N5O5.C24H23N5O4.C23H18N6O4.C23H21N5O4.C21H15N5O4/c1-33-19-3-2-17-14-29(21(30)20(17)11-19)15-24(22(31)26-23(32)27-24)5-4-16-10-18(13-25-12-16)28-6-8-34-9-7-28;1-33-19-5-4-17-14-29(21(30)20(17)11-19)15-24(22(31)26-23(32)27-24)7-6-16-10-18(13-25-12-16)28-8-2-3-9-28;1-33-18-4-3-16-13-28(20(30)19(16)10-18)14-23(21(31)26-22(32)27-23)6-5-15-9-17(12-24-11-15)29-8-2-7-25-29;1-32-17-3-2-15-12-28(19(29)18(15)9-17)13-23(20(30)26-21(31)27-23)5-4-14-8-16(11-25-10-14)22(24)6-7-22;1-30-16-3-2-15-11-26(18(27)17(15)7-16)12-21(19(28)24-20(29)25-21)5-4-13-6-14(8-22)10-23-9-13/h2-3,10-13H,6-9,14-15H2,1H3,(H2,26,27,31,32);4-5,10-13H,2-3,8-9,14-15H2,1H3,(H2,26,27,31,32);2-4,7-12H,13-14H2,1H3,(H2,26,27,31,32);2-3,8-11H,6-7,12-13,24H2,1H3,(H2,26,27,30,31);2-3,6-7,9-10H,11-12H2,1H3,(H2,24,25,28,29)/t2*24-;2*23-;21-/m11111/s1
• InChIKey: AQAFRMKSRVGXNQ-UGGPMCJJSA-N
• XLogP: 3.82
• TPSA: 586.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.23
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	11
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 (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (CID 157193962) is (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-n4cccn4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(C#N)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(C4(N)CC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(N4CCCC4)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(N4CCOCC4)c3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is AQAFRMKSRVGXNQ-UGGPMCJJSA-N. The full InChI is InChI=1S/C24H23N5O5.C24H23N5O4.C23H18N6O4.C23H21N5O4.C21H15N5O4/c1-33-19-3-2-17-14-29(21(30)20(17)11-19)15-24(22(31)26-23(32)27-24)5-4-16-10-18(13-25-12-16)28-6-8-34-9-7-28;1-33-19-5-4-17-14-29(21(30)20(17)11-19)15-24(22(31)26-23(32)27-24)7-6-16-10-18(13-25-12-16)28-8-2-3-9-28;1-33-18-4-3-16-13-28(20(30)19(16)10-18)14-23(21(31)26-22(32)27-23)6-5-15-9-17(12-24-11-15)29-8-2-7-25-29;1-32-17-3-2-15-12-28(19(29)18(15)9-17)13-23(20(30)26-21(31)27-23)5-4-14-8-16(11-25-10-14)22(24)6-7-22;1-30-16-3-2-15-11-26(18(27)17(15)7-16)12-21(19(28)24-20(29)25-21)5-4-13-6-14(8-22)10-23-9-13/h2-3,10-13H,6-9,14-15H2,1H3,(H2,26,27,31,32);4-5,10-13H,2-3,8-9,14-15H2,1H3,(H2,26,27,31,32);2-4,7-12H,13-14H2,1H3,(H2,26,27,31,32);2-3,8-11H,6-7,12-13,24H2,1H3,(H2,26,27,30,31);2-3,6-7,9-10H,11-12H2,1H3,(H2,24,25,28,29)/t2*24-;2*23-;21-/m11111/s1.

What are the key properties of (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 2182.23 g/mol, XLogP of 3.82, 19 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[5-(1-aminocyclopropyl)-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]pyridine-3-carbonitrile;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrazol-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-pyrrolidin-1-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157193962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).