2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride

C66H79Br2ClN12O11Si — CID 160870208

About 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride

2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 160870208) has the molecular formula C66H79Br2ClN12O11Si and a molecular weight of 1439.78 g/mol. Its IUPAC name is 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride
• PubChem CID: 160870208
• Molecular Formula: C66H79Br2ClN12O11Si
• Molecular Weight: 1439.78 g/mol
• Exact Mass: 1436.38
• IUPAC Name: 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride
• SMILES: CCN1CCN(c2ccc(O)c(-c3ccc([C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)n2)CC1.CCN1CCN(c2ccc(O)c(Br)n2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Br)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.Cl
• InChI: InChI=1S/C30H32N6O5.C25H30BrN3O5Si.C11H16BrN3O.ClH/c1-3-34-12-14-35(15-13-34)25-11-10-24(37)26(31-25)19-4-7-21(8-5-19)30(28(39)32-29(40)33-30)18-36-17-20-6-9-22(41-2)16-23(20)27(36)38;1-33-20-10-5-17-14-28(22(30)21(17)13-20)15-25(18-6-8-19(26)9-7-18)23(31)29(24(32)27-25)16-34-11-12-35(2,3)4;1-2-14-5-7-15(8-6-14)10-4-3-9(16)11(12)13-10;/h4-11,16,37H,3,12-15,17-18H2,1-2H3,(H2,32,33,39,40);5-10,13H,11-12,14-16H2,1-4H3,(H,27,32);3-4,16H,2,5-8H2,1H3;1H/t30-;25-;;/m00../s1
• InChIKey: WIIFPWWJBHZBMK-XYVVTVCLSA-N
• XLogP: 8.58
• TPSA: 255.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.78
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?

The IUPAC name of 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride (CID 160870208) is 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride.

What is the SMILES notation for 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?

The canonical SMILES for 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride is CCN1CCN(c2ccc(O)c(-c3ccc([C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3)n2)CC1.CCN1CCN(c2ccc(O)c(Br)n2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(Br)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.Cl.

What is the InChIKey of 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?

The InChIKey is WIIFPWWJBHZBMK-XYVVTVCLSA-N. The full InChI is InChI=1S/C30H32N6O5.C25H30BrN3O5Si.C11H16BrN3O.ClH/c1-3-34-12-14-35(15-13-34)25-11-10-24(37)26(31-25)19-4-7-21(8-5-19)30(28(39)32-29(40)33-30)18-36-17-20-6-9-22(41-2)16-23(20)27(36)38;1-33-20-10-5-17-14-28(22(30)21(17)13-20)15-25(18-6-8-19(26)9-7-18)23(31)29(24(32)27-25)16-34-11-12-35(2,3)4;1-2-14-5-7-15(8-6-14)10-4-3-9(16)11(12)13-10;/h4-11,16,37H,3,12-15,17-18H2,1-2H3,(H2,32,33,39,40);5-10,13H,11-12,14-16H2,1-4H3,(H,27,32);3-4,16H,2,5-8H2,1H3;1H/t30-;25-;;/m00../s1.

What are the key properties of 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride?

2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 1439.78 g/mol, XLogP of 8.58, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(4-ethylpiperazin-1-yl)pyridin-3-ol;(5R)-5-(4-bromophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;(5R)-5-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 160870208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).