(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

C84H66F3N15O16 — CID 158932691

IUPAC(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
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(NC(C)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(C#Cc3cc(F)cc(F)c3)NC(=O)NC1=O)C2=O.O=C1NC(=O)[C@@](C#Cc2cccnc2)(CN2Cc3ccc(F)cc3C2=O)N1
InChIInChI=1S/C22H19N5O5.C22H19N3O4.C21H15F2N3O4.C19H13FN4O3/c1-13(28)24-18-6-3-14(10-23-18)7-8-22(20(30)25-21(31)26-22)12-27-11-15-4-5-16(32-2)9-17(15)19(27)29;1-14-3-5-15(6-4-14)9-10-22(20(27)23-21(28)24-22)13-25-12-16-7-8-17(29-2)11-18(16)19(25)26;1-30-16-2-3-17-13(8-16)10-26(18(17)27)11-21(19(28)24-20(29)25-21)5-4-12-6-14(22)9-15(23)7-12;20-14-4-3-13-10-24(16(25)15(13)8-14)11-19(17(26)22-18(27)23-19)6-5-12-2-1-7-21-9-12/h3-6,9-10H,11-12H2,1-2H3,(H,23,24,28)(H2,25,26,30,31);3-8,11H,12-13H2,1-2H3,(H2,23,24,27,28);2-3,6-9H,10-11H2,1H3,(H2,24,25,28,29);1-4,7-9H,10-11H2,(H2,22,23,26,27)/t2*22-;21-;19-/m1111/s1
InChIKeyJJGNZWLJUPTYIC-KDNHKUFRSA-N
MW1598.53 g/mol
LogP4.59
Rot. Bonds12

About (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

(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 (PubChem CID 158932691) has the molecular formula C84H66F3N15O16 and a molecular weight of 1598.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158932691
Molecular FormulaC84H66F3N15O16
Molecular Weight1598.53 g/mol
Exact Mass1597.48
IUPAC Name(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
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(NC(C)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(C#Cc3cc(F)cc(F)c3)NC(=O)NC1=O)C2=O.O=C1NC(=O)[C@@](C#Cc2cccnc2)(CN2Cc3ccc(F)cc3C2=O)N1
InChIInChI=1S/C22H19N5O5.C22H19N3O4.C21H15F2N3O4.C19H13FN4O3/c1-13(28)24-18-6-3-14(10-23-18)7-8-22(20(30)25-21(31)26-22)12-27-11-15-4-5-16(32-2)9-17(15)19(27)29;1-14-3-5-15(6-4-14)9-10-22(20(27)23-21(28)24-22)13-25-12-16-7-8-17(29-2)11-18(16)19(25)26;1-30-16-2-3-17-13(8-16)10-26(18(17)27)11-21(19(28)24-20(29)25-21)5-4-12-6-14(22)9-15(23)7-12;20-14-4-3-13-10-24(16(25)15(13)8-14)11-19(17(26)22-18(27)23-19)6-5-12-2-1-7-21-9-12/h3-6,9-10H,11-12H2,1-2H3,(H,23,24,28)(H2,25,26,30,31);3-8,11H,12-13H2,1-2H3,(H2,23,24,27,28);2-3,6-9H,10-11H2,1H3,(H2,24,25,28,29);1-4,7-9H,10-11H2,(H2,22,23,26,27)/t2*22-;21-;19-/m1111/s1
InChIKeyJJGNZWLJUPTYIC-KDNHKUFRSA-N
XLogP4.59
TPSA396.61 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.53
LogP ≤ 54.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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 158932691) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(NC(C)=O)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)CN(C[C@@]1(C#Cc3cc(F)cc(F)c3)NC(=O)NC1=O)C2=O.O=C1NC(=O)[C@@](C#Cc2cccnc2)(CN2Cc3ccc(F)cc3C2=O)N1.
What is the InChIKey of (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?
The InChIKey is JJGNZWLJUPTYIC-KDNHKUFRSA-N. The full InChI is InChI=1S/C22H19N5O5.C22H19N3O4.C21H15F2N3O4.C19H13FN4O3/c1-13(28)24-18-6-3-14(10-23-18)7-8-22(20(30)25-21(31)26-22)12-27-11-15-4-5-16(32-2)9-17(15)19(27)29;1-14-3-5-15(6-4-14)9-10-22(20(27)23-21(28)24-22)13-25-12-16-7-8-17(29-2)11-18(16)19(25)26;1-30-16-2-3-17-13(8-16)10-26(18(17)27)11-21(19(28)24-20(29)25-21)5-4-12-6-14(22)9-15(23)7-12;20-14-4-3-13-10-24(16(25)15(13)8-14)11-19(17(26)22-18(27)23-19)6-5-12-2-1-7-21-9-12/h3-6,9-10H,11-12H2,1-2H3,(H,23,24,28)(H2,25,26,30,31);3-8,11H,12-13H2,1-2H3,(H2,23,24,27,28);2-3,6-9H,10-11H2,1H3,(H2,24,25,28,29);1-4,7-9H,10-11H2,(H2,22,23,26,27)/t2*22-;21-;19-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1598.53 g/mol, XLogP of 4.59, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158932691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).