(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid

C104H88N22O25S — CID 161356527

IUPAC(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid
SMILESCCc1cc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc2sc(N)nc12.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N)=O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(C)n3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnccc3N)NC(=O)NC1=O)C2
InChIInChI=1S/C24H21N5O4S.C20H19N5O4.C20H17N5O4.C20H16N4O6.C20H15N3O7/c1-3-14-8-13(9-18-19(14)26-22(25)34-18)6-7-24(21(31)27-23(32)28-24)12-29-11-15-4-5-16(33-2)10-17(15)20(29)30;1-12-21-9-14(24(12)2)6-7-20(18(27)22-19(28)23-20)11-25-10-13-4-5-15(29-3)8-16(13)17(25)26;1-29-14-3-2-13-10-25(17(26)15(13)8-14)11-20(18(27)23-19(28)24-20)6-4-12-9-22-7-5-16(12)21;1-29-13-3-2-11-9-24(17(26)14(11)8-13)10-20(18(27)22-19(28)23-20)7-6-12-4-5-15(30-12)16(21)25;1-29-13-3-2-11-9-23(16(24)14(11)8-13)10-20(18(27)21-19(28)22-20)7-6-12-4-5-15(30-12)17(25)26/h4-5,8-10H,3,11-12H2,1-2H3,(H2,25,26)(H2,27,28,31,32);4-5,8-9H,10-11H2,1-3H3,(H2,22,23,27,28);2-3,5,7-9H,10-11H2,1H3,(H2,21,22)(H2,23,24,27,28);2-5,8H,9-10H2,1H3,(H2,21,25)(H2,22,23,27,28);2-5,8H,9-10H2,1H3,(H,25,26)(H2,21,22,27,28)/t24-;4*20-/m11111/s1
InChIKeyVOPRVYYZUKEDLE-XFXUZPDSSA-N
MW2078.04 g/mol
LogP3.16
Rot. Bonds18

About (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid

(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid (PubChem CID 161356527) has the molecular formula C104H88N22O25S and a molecular weight of 2078.04 g/mol. Its IUPAC name is (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid
PubChem CID161356527
Molecular FormulaC104H88N22O25S
Molecular Weight2078.04 g/mol
Exact Mass2076.60
IUPAC Name(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid
SMILESCCc1cc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc2sc(N)nc12.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N)=O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(C)n3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnccc3N)NC(=O)NC1=O)C2
InChIInChI=1S/C24H21N5O4S.C20H19N5O4.C20H17N5O4.C20H16N4O6.C20H15N3O7/c1-3-14-8-13(9-18-19(14)26-22(25)34-18)6-7-24(21(31)27-23(32)28-24)12-29-11-15-4-5-16(33-2)10-17(15)20(29)30;1-12-21-9-14(24(12)2)6-7-20(18(27)22-19(28)23-20)11-25-10-13-4-5-15(29-3)8-16(13)17(25)26;1-29-14-3-2-13-10-25(17(26)15(13)8-14)11-20(18(27)23-19(28)24-20)6-4-12-9-22-7-5-16(12)21;1-29-13-3-2-11-9-24(17(26)14(11)8-13)10-20(18(27)22-19(28)23-20)7-6-12-4-5-15(30-12)16(21)25;1-29-13-3-2-11-9-23(16(24)14(11)8-13)10-20(18(27)21-19(28)22-20)7-6-12-4-5-15(30-12)17(25)26/h4-5,8-10H,3,11-12H2,1-2H3,(H2,25,26)(H2,27,28,31,32);4-5,8-9H,10-11H2,1-3H3,(H2,22,23,27,28);2-3,5,7-9H,10-11H2,1H3,(H2,21,22)(H2,23,24,27,28);2-5,8H,9-10H2,1H3,(H2,21,25)(H2,22,23,27,28);2-5,8H,9-10H2,1H3,(H,25,26)(H2,21,22,27,28)/t24-;4*20-/m11111/s1
InChIKeyVOPRVYYZUKEDLE-XFXUZPDSSA-N
XLogP3.16
TPSA641.01 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.04
LogP ≤ 53.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxylic acid
CID 157658871
(5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[2-(2,4-difluorophenyl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
CID 158220929
(5R)-5-[2-(1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;N-cyclopropyl-5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxamide;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-propan-2-ylphenyl)ethynyl]imidazolidine-2,4-dione
CID 158295425
(5R)-5-[2-(5-amino-1,3-benzothiazol-4-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)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-(9-propan-2-ylpurin-6-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(7H-purin-6-yl)ethynyl]imidazolidine-2,4-dione;methyl 5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylate
CID 161223375

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid?
The IUPAC name of (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid (CID 161356527) is (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid.
What is the SMILES notation for (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid?
The canonical SMILES for (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid is CCc1cc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc2sc(N)nc12.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=O)O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N)=O)o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnc(C)n3C)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cnccc3N)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid?
The InChIKey is VOPRVYYZUKEDLE-XFXUZPDSSA-N. The full InChI is InChI=1S/C24H21N5O4S.C20H19N5O4.C20H17N5O4.C20H16N4O6.C20H15N3O7/c1-3-14-8-13(9-18-19(14)26-22(25)34-18)6-7-24(21(31)27-23(32)28-24)12-29-11-15-4-5-16(33-2)10-17(15)20(29)30;1-12-21-9-14(24(12)2)6-7-20(18(27)22-19(28)23-20)11-25-10-13-4-5-15(29-3)8-16(13)17(25)26;1-29-14-3-2-13-10-25(17(26)15(13)8-14)11-20(18(27)23-19(28)24-20)6-4-12-9-22-7-5-16(12)21;1-29-13-3-2-11-9-24(17(26)14(11)8-13)10-20(18(27)22-19(28)23-20)7-6-12-4-5-15(30-12)16(21)25;1-29-13-3-2-11-9-23(16(24)14(11)8-13)10-20(18(27)21-19(28)22-20)7-6-12-4-5-15(30-12)17(25)26/h4-5,8-10H,3,11-12H2,1-2H3,(H2,25,26)(H2,27,28,31,32);4-5,8-9H,10-11H2,1-3H3,(H2,22,23,27,28);2-3,5,7-9H,10-11H2,1H3,(H2,21,22)(H2,23,24,27,28);2-5,8H,9-10H2,1H3,(H2,21,25)(H2,22,23,27,28);2-5,8H,9-10H2,1H3,(H,25,26)(H2,21,22,27,28)/t24-;4*20-/m11111/s1.
What are the key properties of (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid?
(5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid has a molecular weight of 2078.04 g/mol, XLogP of 3.16, 18 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(2-amino-4-ethyl-1,3-benzothiazol-6-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-amino-3-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,3-dimethylimidazol-4-yl)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]furan-2-carboxamide;5-[2-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]furan-2-carboxylic acid is sourced from PubChem (CID 161356527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).