(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid

C89H90BBrF2N12O17Si2 — CID 160901306

IUPAC(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccnc4F)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.OB(O)c1cccnc1F
InChIInChI=1S/C33H35FN4O5Si.C27H22N4O5.C24H28BrN3O5Si.C5H5BFNO2/c1-5-6-16-43-26-14-11-24-20-37(30(39)28(24)19-26)21-33(25-12-9-23(10-13-25)27-8-7-15-35-29(27)34)31(40)38(32(41)36-33)22-42-17-18-44(2,3)4;1-2-3-13-36-20-11-8-18-15-31(24(33)22(18)14-20)16-27(25(34)29-26(35)30-27)19-9-6-17(7-10-19)21-5-4-12-28-23(21)32;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30;7-5-4(6(9)10)2-1-3-8-5/h7-15,19H,16-18,20-22H2,1-4H3,(H,36,41);4-12,14H,13,15-16H2,1H3,(H,28,32)(H2,29,30,34,35);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32);1-3,9-10H/t33-;27-;24-;/m000./s1
InChIKeySPNRCYIOIAJETR-NUWDGBLISA-N
MW1784.65 g/mol
LogP9.91
Rot. Bonds26

About (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid

(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid (PubChem CID 160901306) has the molecular formula C89H90BBrF2N12O17Si2 and a molecular weight of 1784.65 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid
PubChem CID160901306
Molecular FormulaC89H90BBrF2N12O17Si2
Molecular Weight1784.65 g/mol
Exact Mass1782.53
IUPAC Name(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid
SMILESCC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccnc4F)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.OB(O)c1cccnc1F
InChIInChI=1S/C33H35FN4O5Si.C27H22N4O5.C24H28BrN3O5Si.C5H5BFNO2/c1-5-6-16-43-26-14-11-24-20-37(30(39)28(24)19-26)21-33(25-12-9-23(10-13-25)27-8-7-15-35-29(27)34)31(40)38(32(41)36-33)22-42-17-18-44(2,3)4;1-2-3-13-36-20-11-8-18-15-31(24(33)22(18)14-20)16-27(25(34)29-26(35)30-27)19-9-6-17(7-10-19)21-5-4-12-28-23(21)32;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30;7-5-4(6(9)10)2-1-3-8-5/h7-15,19H,16-18,20-22H2,1-4H3,(H,36,41);4-12,14H,13,15-16H2,1H3,(H,28,32)(H2,29,30,34,35);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32);1-3,9-10H/t33-;27-;24-;/m000./s1
InChIKeySPNRCYIOIAJETR-NUWDGBLISA-N
XLogP9.91
TPSA374.20 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001784.65
LogP ≤ 59.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid (CID 160901306) is (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid is CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc[nH]c4=O)cc3)NC(=O)NC1=O)C2.CC#CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccnc4F)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.C[Si](C)(C)CCOCN1C(=O)N[C@@](CN2Cc3ccc(O)cc3C2=O)(c2ccc(Br)cc2)C1=O.OB(O)c1cccnc1F.
What is the InChIKey of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid?
The InChIKey is SPNRCYIOIAJETR-NUWDGBLISA-N. The full InChI is InChI=1S/C33H35FN4O5Si.C27H22N4O5.C24H28BrN3O5Si.C5H5BFNO2/c1-5-6-16-43-26-14-11-24-20-37(30(39)28(24)19-26)21-33(25-12-9-23(10-13-25)27-8-7-15-35-29(27)34)31(40)38(32(41)36-33)22-42-17-18-44(2,3)4;1-2-3-13-36-20-11-8-18-15-31(24(33)22(18)14-20)16-27(25(34)29-26(35)30-27)19-9-6-17(7-10-19)21-5-4-12-28-23(21)32;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,17-5-7-18(25)8-6-17)14-27-13-16-4-9-19(29)12-20(16)21(27)30;7-5-4(6(9)10)2-1-3-8-5/h7-15,19H,16-18,20-22H2,1-4H3,(H,36,41);4-12,14H,13,15-16H2,1H3,(H,28,32)(H2,29,30,34,35);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32);1-3,9-10H/t33-;27-;24-;/m000./s1.
What are the key properties of (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid?
(5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid has a molecular weight of 1784.65 g/mol, XLogP of 9.91, 26 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-fluoro-3-pyridinyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[(5-but-2-ynoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(2-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 160901306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).