(5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

C97H86N22O17 — CID 159465227

About (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (PubChem CID 159465227) has the molecular formula C97H86N22O17 and a molecular weight of 1831.89 g/mol. Its IUPAC name is (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
• PubChem CID: 159465227
• Molecular Formula: C97H86N22O17
• Molecular Weight: 1831.89 g/mol
• Exact Mass: 1830.65
• IUPAC Name: (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(NCCN(C)C)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3-c3ccncc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3-c3cncnc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N3CCOCC3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H19N5O4.C24H18N6O4.C24H26N6O4.C24H23N5O5/c1-34-19-5-4-18-14-30(22(31)20(18)13-19)15-25(23(32)28-24(33)29-25)9-6-16-3-2-10-27-21(16)17-7-11-26-12-8-17;1-34-18-5-4-16-12-30(21(31)19(16)9-18)13-24(22(32)28-23(33)29-24)7-6-15-3-2-8-27-20(15)17-10-25-14-26-11-17;1-29(2)11-10-25-20-7-4-16(13-26-20)8-9-24(22(32)27-23(33)28-24)15-30-14-17-5-6-18(34-3)12-19(17)21(30)31;1-33-18-5-4-17-14-29(21(30)19(17)13-18)15-24(22(31)26-23(32)27-24)7-6-16-3-2-8-25-20(16)28-9-11-34-12-10-28/h2-5,7-8,10-13H,14-15H2,1H3,(H2,28,29,32,33);2-5,8-11,14H,12-13H2,1H3,(H2,28,29,32,33);4-7,12-13H,10-11,14-15H2,1-3H3,(H,25,26)(H2,27,28,32,33);2-5,8,13H,9-12,14-15H2,1H3,(H2,26,27,31,32)/t25-;3*24-/m1111/s1
• InChIKey: LVCBTZYPBNMDKQ-YZXGTCASSA-N
• XLogP: 4.03
• TPSA: 468.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.89
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

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-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione (CID 159465227) is (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(NCCN(C)C)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3-c3ccncc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3-c3cncnc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3N3CCOCC3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

The InChIKey is LVCBTZYPBNMDKQ-YZXGTCASSA-N. The full InChI is InChI=1S/C25H19N5O4.C24H18N6O4.C24H26N6O4.C24H23N5O5/c1-34-19-5-4-18-14-30(22(31)20(18)13-19)15-25(23(32)28-24(33)29-25)9-6-16-3-2-10-27-21(16)17-7-11-26-12-8-17;1-34-18-5-4-16-12-30(21(31)19(16)9-18)13-24(22(32)28-23(33)29-24)7-6-15-3-2-8-27-20(15)17-10-25-14-26-11-17;1-29(2)11-10-25-20-7-4-16(13-26-20)8-9-24(22(32)27-23(33)28-24)15-30-14-17-5-6-18(34-3)12-19(17)21(30)31;1-33-18-5-4-17-14-29(21(30)19(17)13-18)15-24(22(31)26-23(32)27-24)7-6-16-3-2-8-25-20(16)28-9-11-34-12-10-28/h2-5,7-8,10-13H,14-15H2,1H3,(H2,28,29,32,33);2-5,8-11,14H,12-13H2,1H3,(H2,28,29,32,33);4-7,12-13H,10-11,14-15H2,1-3H3,(H,25,26)(H2,27,28,32,33);2-5,8,13H,9-12,14-15H2,1H3,(H2,26,27,31,32)/t25-;3*24-/m1111/s1.

What are the key properties of (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione has a molecular weight of 1831.89 g/mol, XLogP of 4.03, 19 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]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-(2-morpholin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyridin-4-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-pyrimidin-5-yl-3-pyridinyl)ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159465227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).