4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione

C101H90F3N17O20 — CID 158091508

About 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione

4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione (PubChem CID 158091508) has the molecular formula C101H90F3N17O20 and a molecular weight of 1918.92 g/mol. Its IUPAC name is 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione
• PubChem CID: 158091508
• Molecular Formula: C101H90F3N17O20
• Molecular Weight: 1918.92 g/mol
• Exact Mass: 1917.65
• IUPAC Name: 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CCC43NC(=O)CC3=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C(N)=O)CCN(C)CC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cccnc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H28FN5O5.C27H22N4O6.C26H25FN4O5.C20H15FN4O4/c1-33-13-11-27(12-14-33,24(30)36)19-6-3-17(4-7-19)9-10-28(25(37)31-26(38)32-28)16-34-15-18-5-8-20(39-2)22(29)21(18)23(34)35;1-37-18-4-3-17-13-31(23(34)19(17)11-18)14-26(24(35)28-25(36)30-26)8-6-15-2-5-20-16(10-15)7-9-27(20)21(32)12-22(33)29-27;1-36-19-7-4-17-14-31(22(32)20(17)21(19)27)15-25(23(33)29-24(34)30-25)9-8-16-2-5-18(6-3-16)26(35)10-12-28-13-11-26;1-29-14-5-4-13-10-25(17(26)15(13)16(14)21)11-20(18(27)23-19(28)24-20)7-6-12-3-2-8-22-9-12/h3-8H,11-16H2,1-2H3,(H2,30,36)(H2,31,32,37,38);2-5,10-11H,7,9,12-14H2,1H3,(H,29,33)(H2,28,30,35,36);2-7,28,35H,10-15H2,1H3,(H2,29,30,33,34);2-5,8-9H,10-11H2,1H3,(H2,23,24,27,28)/t28-;26-,27?;25-;20-/m1111/s1
• InChIKey: FODRQTKFODQDKA-PLSSABDCSA-N
• XLogP: 3.19
• TPSA: 488.61 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.92
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione?

The IUPAC name of 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione (CID 158091508) is 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione.

What is the SMILES notation for 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione?

The canonical SMILES for 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CCC43NC(=O)CC3=O)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(C(N)=O)CCN(C)CC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cccnc3)NC(=O)NC1=O)C2.

What is the InChIKey of 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione?

The InChIKey is FODRQTKFODQDKA-PLSSABDCSA-N. The full InChI is InChI=1S/C28H28FN5O5.C27H22N4O6.C26H25FN4O5.C20H15FN4O4/c1-33-13-11-27(12-14-33,24(30)36)19-6-3-17(4-7-19)9-10-28(25(37)31-26(38)32-28)16-34-15-18-5-8-20(39-2)22(29)21(18)23(34)35;1-37-18-4-3-17-13-31(23(34)19(17)11-18)14-26(24(35)28-25(36)30-26)8-6-15-2-5-20-16(10-15)7-9-27(20)21(32)12-22(33)29-27;1-36-19-7-4-17-14-31(22(32)20(17)21(19)27)15-25(23(33)29-24(34)30-25)9-8-16-2-5-18(6-3-16)26(35)10-12-28-13-11-26;1-29-14-5-4-13-10-25(17(26)15(13)16(14)21)11-20(18(27)23-19(28)24-20)7-6-12-3-2-8-22-9-12/h3-8H,11-16H2,1-2H3,(H2,30,36)(H2,31,32,37,38);2-5,10-11H,7,9,12-14H2,1H3,(H,29,33)(H2,28,30,35,36);2-7,28,35H,10-15H2,1H3,(H2,29,30,33,34);2-5,8-9H,10-11H2,1H3,(H2,23,24,27,28)/t28-;26-,27?;25-;20-/m1111/s1.

What are the key properties of 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione?

4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione has a molecular weight of 1918.92 g/mol, XLogP of 3.19, 15 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-1-methylpiperidine-4-carboxamide;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;6-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]spiro[1,2-dihydroindene-3,5'-pyrrolidine]-2',4'-dione is sourced from PubChem (CID 158091508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).