(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C70H70N8O9Si — CID 158334267

IUPAC(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#CC)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)NC(=O)N1CC#CC)C2
InChIInChI=1S/C38H42N4O5Si.C32H28N4O4/c1-7-9-19-42-37(45)41(27-46-21-22-48(4,5)6)36(44)38(42,31-14-11-29(12-15-31)34-23-28(3)17-18-39-34)26-40-25-30-13-16-32(47-20-10-8-2)24-33(30)35(40)43;1-4-6-16-36-31(39)34-30(38)32(36,25-11-8-23(9-12-25)28-18-22(3)14-15-33-28)21-35-20-24-10-13-26(40-17-7-5-2)19-27(24)29(35)37/h11-18,23-24H,19-22,25-27H2,1-6H3;8-15,18-19H,16-17,20-21H2,1-3H3,(H,34,38,39)/t38-;32-/m00/s1
InChIKeyGQJQXQZVXLVFEH-VKZINEHISA-N
MW1195.46 g/mol
LogP9.80
Rot. Bonds19

About (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 158334267) has the molecular formula C70H70N8O9Si and a molecular weight of 1195.46 g/mol. Its IUPAC name is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
PubChem CID158334267
Molecular FormulaC70H70N8O9Si
Molecular Weight1195.46 g/mol
Exact Mass1194.50
IUPAC Name(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#CC)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)NC(=O)N1CC#CC)C2
InChIInChI=1S/C38H42N4O5Si.C32H28N4O4/c1-7-9-19-42-37(45)41(27-46-21-22-48(4,5)6)36(44)38(42,31-14-11-29(12-15-31)34-23-28(3)17-18-39-34)26-40-25-30-13-16-32(47-20-10-8-2)24-33(30)35(40)43;1-4-6-16-36-31(39)34-30(38)32(36,25-11-8-23(9-12-25)28-18-22(3)14-15-33-28)21-35-20-24-10-13-26(40-17-7-5-2)19-27(24)29(35)37/h11-18,23-24H,19-22,25-27H2,1-6H3;8-15,18-19H,16-17,20-21H2,1-3H3,(H,34,38,39)/t38-;32-/m00/s1
InChIKeyGQJQXQZVXLVFEH-VKZINEHISA-N
XLogP9.80
TPSA184.12 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001195.46
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 158334267) is (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#CC)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@]1(c3ccc(-c4cc(C)ccn4)cc3)C(=O)NC(=O)N1CC#CC)C2.
What is the InChIKey of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is GQJQXQZVXLVFEH-VKZINEHISA-N. The full InChI is InChI=1S/C38H42N4O5Si.C32H28N4O4/c1-7-9-19-42-37(45)41(27-46-21-22-48(4,5)6)36(44)38(42,31-14-11-29(12-15-31)34-23-28(3)17-18-39-34)26-40-25-30-13-16-32(47-20-10-8-2)24-33(30)35(40)43;1-4-6-16-36-31(39)34-30(38)32(36,25-11-8-23(9-12-25)28-18-22(3)14-15-33-28)21-35-20-24-10-13-26(40-17-7-5-2)19-27(24)29(35)37/h11-18,23-24H,19-22,25-27H2,1-6H3;8-15,18-19H,16-17,20-21H2,1-3H3,(H,34,38,39)/t38-;32-/m00/s1.
What are the key properties of (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 1195.46 g/mol, XLogP of 9.80, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-1-but-2-ynyl-5-[4-(4-methyl-2-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158334267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).