2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C69H78Br3IN12O5 — CID 160739756

IUPAC2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3)n2)CC1.CCN1CCN(c2ccc(C)c(Br)n2)CC1.CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3)n2)CC1.Cc1ccc(I)nc1Br
InChIInChI=1S/C33H33N5O5.C18H22BrN3.C12H18BrN3.C6H5BrIN/c1-3-36-14-16-37(17-15-36)28-11-10-27(39)30(34-28)23-6-4-22(5-7-23)12-13-33(19-29(40)35-32(33)42)21-38-20-24-8-9-25(43-2)18-26(24)31(38)41;1-3-21-10-12-22(13-11-21)17-9-4-14(2)18(20-17)15-5-7-16(19)8-6-15;1-3-15-6-8-16(9-7-15)11-5-4-10(2)12(13)14-11;1-4-2-3-5(8)9-6(4)7/h4-11,18,39H,3,14-17,19-21H2,1-2H3,(H,35,40,42);4-9H,3,10-13H2,1-2H3;4-5H,3,6-9H2,1-2H3;2-3H,1H3/t33-;;;/m1.../s1
InChIKeyRVKMYVVGRNTYNG-RCDPHOBVSA-N
MW1522.08 g/mol
LogP11.66
Rot. Bonds11

About 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 160739756) has the molecular formula C69H78Br3IN12O5 and a molecular weight of 1522.08 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID160739756
Molecular FormulaC69H78Br3IN12O5
Molecular Weight1522.08 g/mol
Exact Mass1518.28
IUPAC Name2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3)n2)CC1.CCN1CCN(c2ccc(C)c(Br)n2)CC1.CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3)n2)CC1.Cc1ccc(I)nc1Br
InChIInChI=1S/C33H33N5O5.C18H22BrN3.C12H18BrN3.C6H5BrIN/c1-3-36-14-16-37(17-15-36)28-11-10-27(39)30(34-28)23-6-4-22(5-7-23)12-13-33(19-29(40)35-32(33)42)21-38-20-24-8-9-25(43-2)18-26(24)31(38)41;1-3-21-10-12-22(13-11-21)17-9-4-14(2)18(20-17)15-5-7-16(19)8-6-15;1-3-15-6-8-16(9-7-15)11-5-4-10(2)12(13)14-11;1-4-2-3-5(8)9-6(4)7/h4-11,18,39H,3,14-17,19-21H2,1-2H3,(H,35,40,42);4-9H,3,10-13H2,1-2H3;4-5H,3,6-9H2,1-2H3;2-3H,1H3/t33-;;;/m1.../s1
InChIKeyRVKMYVVGRNTYNG-RCDPHOBVSA-N
XLogP11.66
TPSA166.94 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.08
LogP ≤ 511.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 160739756) is 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is CCN1CCN(c2ccc(C)c(-c3ccc(Br)cc3)n2)CC1.CCN1CCN(c2ccc(C)c(Br)n2)CC1.CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)cc3)n2)CC1.Cc1ccc(I)nc1Br.
What is the InChIKey of 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is RVKMYVVGRNTYNG-RCDPHOBVSA-N. The full InChI is InChI=1S/C33H33N5O5.C18H22BrN3.C12H18BrN3.C6H5BrIN/c1-3-36-14-16-37(17-15-36)28-11-10-27(39)30(34-28)23-6-4-22(5-7-23)12-13-33(19-29(40)35-32(33)42)21-38-20-24-8-9-25(43-2)18-26(24)31(38)41;1-3-21-10-12-22(13-11-21)17-9-4-14(2)18(20-17)15-5-7-16(19)8-6-15;1-3-15-6-8-16(9-7-15)11-5-4-10(2)12(13)14-11;1-4-2-3-5(8)9-6(4)7/h4-11,18,39H,3,14-17,19-21H2,1-2H3,(H,35,40,42);4-9H,3,10-13H2,1-2H3;4-5H,3,6-9H2,1-2H3;2-3H,1H3/t33-;;;/m1.../s1.
What are the key properties of 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?
2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 1522.08 g/mol, XLogP of 11.66, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-methylpyridine;1-(6-bromo-5-methyl-2-pyridinyl)-4-ethylpiperazine;1-[6-(4-bromophenyl)-5-methyl-2-pyridinyl]-4-ethylpiperazine;(3S)-3-[2-[4-[6-(4-ethylpiperazin-1-yl)-3-hydroxy-2-pyridinyl]phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 160739756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).