N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione

C108H97N23O23S — CID 158750741

IUPACN-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(CNS(C)(=O)=O)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H26N6O5.C27H25N7O5.C27H22N4O5.C26H24N6O8S/c1-18(35)29-12-10-21-15-34(17-30-21)22-6-3-19(4-7-22)9-11-28(26(37)31-27(38)32-28)16-33-14-20-5-8-23(39-2)13-24(20)25(33)36;1-17(35)28-10-8-20-14-34(16-30-20)23-6-3-18(12-29-23)7-9-27(25(37)31-26(38)32-27)15-33-13-19-4-5-21(39-2)11-22(19)24(33)36;1-35-19-5-4-18-15-31(25(33)20(18)11-19)16-27(12-24(32)30-26(27)34)9-7-17-3-6-22(29-13-17)21-14-28-10-8-23(21)36-2;1-40-18-8-5-16-12-32(20(33)19(16)11-18)14-25(21(34)28-23(36)30-25)10-9-15-3-6-17(7-4-15)26(13-27-41(2,38)39)22(35)29-24(37)31-26/h3-8,13,15,17H,10,12,14,16H2,1-2H3,(H,29,35)(H2,31,32,37,38);3-6,11-12,14,16H,8,10,13,15H2,1-2H3,(H,28,35)(H2,31,32,37,38);3-6,8,10-11,13-14H,12,15-16H2,1-2H3,(H,30,32,34);3-8,11,27H,12-14H2,1-2H3,(H2,28,30,34,36)(H2,29,31,35,37)/t28-;2*27-;25-,26?/m1111/s1
InChIKeyINLHNTIQXPOYRX-FDDMRADSSA-N
MW2117.17 g/mol
LogP2.75
Rot. Bonds26

About N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione

N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione (PubChem CID 158750741) has the molecular formula C108H97N23O23S and a molecular weight of 2117.17 g/mol. Its IUPAC name is N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione
PubChem CID158750741
Molecular FormulaC108H97N23O23S
Molecular Weight2117.17 g/mol
Exact Mass2115.68
IUPAC NameN-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(CNS(C)(=O)=O)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H26N6O5.C27H25N7O5.C27H22N4O5.C26H24N6O8S/c1-18(35)29-12-10-21-15-34(17-30-21)22-6-3-19(4-7-22)9-11-28(26(37)31-27(38)32-28)16-33-14-20-5-8-23(39-2)13-24(20)25(33)36;1-17(35)28-10-8-20-14-34(16-30-20)23-6-3-18(12-29-23)7-9-27(25(37)31-26(38)32-27)15-33-13-19-4-5-21(39-2)11-22(19)24(33)36;1-35-19-5-4-18-15-31(25(33)20(18)11-19)16-27(12-24(32)30-26(27)34)9-7-17-3-6-22(29-13-17)21-14-28-10-8-23(21)36-2;1-40-18-8-5-16-12-32(20(33)19(16)11-18)14-25(21(34)28-23(36)30-25)10-9-15-3-6-17(7-4-15)26(13-27-41(2,38)39)22(35)29-24(37)31-26/h3-8,13,15,17H,10,12,14,16H2,1-2H3,(H,29,35)(H2,31,32,37,38);3-6,11-12,14,16H,8,10,13,15H2,1-2H3,(H,28,35)(H2,31,32,37,38);3-6,8,10-11,13-14H,12,15-16H2,1-2H3,(H,30,32,34);3-8,11,27H,12-14H2,1-2H3,(H2,28,30,34,36)(H2,29,31,35,37)/t28-;2*27-;25-,26?/m1111/s1
InChIKeyINLHNTIQXPOYRX-FDDMRADSSA-N
XLogP2.75
TPSA585.04 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.17
LogP ≤ 52.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-[(methylsulfanylamino)methyl]imidazolidine-2,4-dione
CID 88570061
5-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-N-methylpyridine-2-carboxamide
CID 76573663
1-[4-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide
CID 76671196
methyl 2-[4-[2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]ethynyl]phenyl]acetate
CID 58041838
5-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76671193
(3S)-3-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]ethynyl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[2-[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione
CID 160526374
2-chloro-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]benzamide
CID 70314094
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]imidazolidine-2,4-dione
CID 76671030
(5R)-5-[2-(2,4-difluorophenyl)ethynyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-difluorophenyl)ethynyl]-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;N-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]acetamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(4-methylphenyl)ethynyl]imidazolidine-2,4-dione
CID 159690373
5-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-5-methylimidazolidine-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'-imidazolidine]-2',4'-dione
CID 159239246
methyl 1-ethyl-4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]piperidine-4-carboxylate
CID 58041779
4-[5-[2-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]ethynyl]-3-pyridinyl]benzamide
CID 58041893

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione?
The IUPAC name of N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione (CID 158750741) is N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione.
What is the SMILES notation for N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione?
The canonical SMILES for N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cnccc4OC)nc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cnc(CCNC(C)=O)c4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(CNS(C)(=O)=O)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione?
The InChIKey is INLHNTIQXPOYRX-FDDMRADSSA-N. The full InChI is InChI=1S/C28H26N6O5.C27H25N7O5.C27H22N4O5.C26H24N6O8S/c1-18(35)29-12-10-21-15-34(17-30-21)22-6-3-19(4-7-22)9-11-28(26(37)31-27(38)32-28)16-33-14-20-5-8-23(39-2)13-24(20)25(33)36;1-17(35)28-10-8-20-14-34(16-30-20)23-6-3-18(12-29-23)7-9-27(25(37)31-26(38)32-27)15-33-13-19-4-5-21(39-2)11-22(19)24(33)36;1-35-19-5-4-18-15-31(25(33)20(18)11-19)16-27(12-24(32)30-26(27)34)9-7-17-3-6-22(29-13-17)21-14-28-10-8-23(21)36-2;1-40-18-8-5-16-12-32(20(33)19(16)11-18)14-25(21(34)28-23(36)30-25)10-9-15-3-6-17(7-4-15)26(13-27-41(2,38)39)22(35)29-24(37)31-26/h3-8,13,15,17H,10,12,14,16H2,1-2H3,(H,29,35)(H2,31,32,37,38);3-6,11-12,14,16H,8,10,13,15H2,1-2H3,(H,28,35)(H2,31,32,37,38);3-6,8,10-11,13-14H,12,15-16H2,1-2H3,(H,30,32,34);3-8,11,27H,12-14H2,1-2H3,(H2,28,30,34,36)(H2,29,31,35,37)/t28-;2*27-;25-,26?/m1111/s1.
What are the key properties of N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione?
N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione has a molecular weight of 2117.17 g/mol, XLogP of 2.75, 26 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]-2,5-dioxoimidazolidin-4-yl]methyl]methanesulfonamide;N-[2-[1-[4-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]imidazol-4-yl]ethyl]acetamide;N-[2-[1-[5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]-2-pyridinyl]imidazol-4-yl]ethyl]acetamide;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[6-(4-methoxy-3-pyridinyl)-3-pyridinyl]ethynyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158750741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).