(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione

C127H109N31O27 — CID 159749015

IUPAC(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCCNc1nnc(-c2ccc(OC)c(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)n2)o1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(-c5cccnc5)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(C)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cn[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(C(=O)N4CCCCC4)ccc3OC)NC(=O)NC1=O)C2
InChIInChI=1S/C28H21N7O5.C27H27N5O6.C25H23N7O6.C24H20N6O5.C23H18N6O5/c1-40-21-9-6-19-15-34(24(36)22(19)13-21)16-28(25(37)30-26(38)31-28)11-10-17-4-7-20(8-5-17)35-23(32-33-27(35)39)18-3-2-12-29-14-18;1-37-18-7-6-17-15-32(23(33)19(17)14-18)16-27(25(35)29-26(36)30-27)11-10-20-22(38-2)9-8-21(28-20)24(34)31-12-4-3-5-13-31;1-4-26-24-31-30-20(38-24)18-7-8-19(37-3)17(27-18)9-10-25(22(34)28-23(35)29-25)13-32-12-14-5-6-15(36-2)11-16(14)21(32)33;1-14-27-28-23(34)30(14)17-6-3-15(4-7-17)9-10-24(21(32)25-22(33)26-24)13-29-12-16-5-8-18(35-2)11-19(16)20(29)31;1-34-17-7-4-15-11-28(19(30)18(15)10-17)12-23(20(31)25-21(32)26-23)9-8-14-2-5-16(6-3-14)29-13-24-27-22(29)33/h2-9,12-14H,15-16H2,1H3,(H,33,39)(H2,30,31,37,38);6-9,14H,3-5,12-13,15-16H2,1-2H3,(H2,29,30,35,36);5-8,11H,4,12-13H2,1-3H3,(H,26,31)(H2,28,29,34,35);3-8,11H,12-13H2,1-2H3,(H,28,34)(H2,25,26,32,33);2-7,10,13H,11-12H2,1H3,(H,27,33)(H2,25,26,31,32)/t28-;27-;25-;24-;23-/m11111/s1
InChIKeyNDKKMXFKOQZQBV-DBRSCNSNSA-N
MW2501.46 g/mol
LogP4.31
Rot. Bonds25

About (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 159749015) has the molecular formula C127H109N31O27 and a molecular weight of 2501.46 g/mol. Its IUPAC name is (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione
PubChem CID159749015
Molecular FormulaC127H109N31O27
Molecular Weight2501.46 g/mol
Exact Mass2499.81
IUPAC Name(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione
SMILESCCNc1nnc(-c2ccc(OC)c(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)n2)o1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(-c5cccnc5)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(C)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cn[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(C(=O)N4CCCCC4)ccc3OC)NC(=O)NC1=O)C2
InChIInChI=1S/C28H21N7O5.C27H27N5O6.C25H23N7O6.C24H20N6O5.C23H18N6O5/c1-40-21-9-6-19-15-34(24(36)22(19)13-21)16-28(25(37)30-26(38)31-28)11-10-17-4-7-20(8-5-17)35-23(32-33-27(35)39)18-3-2-12-29-14-18;1-37-18-7-6-17-15-32(23(33)19(17)14-18)16-27(25(35)29-26(36)30-27)11-10-20-22(38-2)9-8-21(28-20)24(34)31-12-4-3-5-13-31;1-4-26-24-31-30-20(38-24)18-7-8-19(37-3)17(27-18)9-10-25(22(34)28-23(35)29-25)13-32-12-14-5-6-15(36-2)11-16(14)21(32)33;1-14-27-28-23(34)30(14)17-6-3-15(4-7-17)9-10-24(21(32)25-22(33)26-24)13-29-12-16-5-8-18(35-2)11-19(16)20(29)31;1-34-17-7-4-15-11-28(19(30)18(15)10-17)12-23(20(31)25-21(32)26-23)9-8-14-2-5-16(6-3-14)29-13-24-27-22(29)33/h2-9,12-14H,15-16H2,1H3,(H,33,39)(H2,30,31,37,38);6-9,14H,3-5,12-13,15-16H2,1-2H3,(H2,29,30,35,36);5-8,11H,4,12-13H2,1-3H3,(H,26,31)(H2,28,29,34,35);3-8,11H,12-13H2,1-2H3,(H,28,34)(H2,25,26,32,33);2-7,10,13H,11-12H2,1H3,(H,27,33)(H2,25,26,31,32)/t28-;27-;25-;24-;23-/m11111/s1
InChIKeyNDKKMXFKOQZQBV-DBRSCNSNSA-N
XLogP4.31
TPSA719.13 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002501.46
LogP ≤ 54.31
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione (CID 159749015) is (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione is CCNc1nnc(-c2ccc(OC)c(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)n2)o1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(-c5cccnc5)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4c(C)n[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4cn[nH]c4=O)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(C(=O)N4CCCCC4)ccc3OC)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is NDKKMXFKOQZQBV-DBRSCNSNSA-N. The full InChI is InChI=1S/C28H21N7O5.C27H27N5O6.C25H23N7O6.C24H20N6O5.C23H18N6O5/c1-40-21-9-6-19-15-34(24(36)22(19)13-21)16-28(25(37)30-26(38)31-28)11-10-17-4-7-20(8-5-17)35-23(32-33-27(35)39)18-3-2-12-29-14-18;1-37-18-7-6-17-15-32(23(33)19(17)14-18)16-27(25(35)29-26(36)30-27)11-10-20-22(38-2)9-8-21(28-20)24(34)31-12-4-3-5-13-31;1-4-26-24-31-30-20(38-24)18-7-8-19(37-3)17(27-18)9-10-25(22(34)28-23(35)29-25)13-32-12-14-5-6-15(36-2)11-16(14)21(32)33;1-14-27-28-23(34)30(14)17-6-3-15(4-7-17)9-10-24(21(32)25-22(33)26-24)13-29-12-16-5-8-18(35-2)11-19(16)20(29)31;1-34-17-7-4-15-11-28(19(30)18(15)10-17)12-23(20(31)25-21(32)26-23)9-8-14-2-5-16(6-3-14)29-13-24-27-22(29)33/h2-9,12-14H,15-16H2,1H3,(H,33,39)(H2,30,31,37,38);6-9,14H,3-5,12-13,15-16H2,1-2H3,(H2,29,30,35,36);5-8,11H,4,12-13H2,1-3H3,(H,26,31)(H2,28,29,34,35);3-8,11H,12-13H2,1-2H3,(H,28,34)(H2,25,26,32,33);2-7,10,13H,11-12H2,1H3,(H,27,33)(H2,25,26,31,32)/t28-;27-;25-;24-;23-/m11111/s1.
What are the key properties of (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 2501.46 g/mol, XLogP of 4.31, 25 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[6-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methoxy-2-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-[3-methoxy-6-(piperidine-1-carbonyl)-2-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-3-pyridin-3-yl-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159749015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).