1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H25N5O5 — CID 170628753

IUPAC1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1ccc(N2C(=O)N(c3ccc4c(c3)CN(C3CCC(=O)N(CO)C3=O)C4=O)CC2C)cn1
InChIInChI=1S/C24H25N5O5/c1-14-3-4-18(10-25-14)29-15(2)11-26(24(29)34)17-5-6-19-16(9-17)12-27(22(19)32)20-7-8-21(31)28(13-30)23(20)33/h3-6,9-10,15,20,30H,7-8,11-13H2,1-2H3
InChIKeySSQMIYDJUIUVNO-UHFFFAOYSA-N
MW463.49 g/mol
LogP1.65
Rot. Bonds4

About 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170628753) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170628753
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1ccc(N2C(=O)N(c3ccc4c(c3)CN(C3CCC(=O)N(CO)C3=O)C4=O)CC2C)cn1
InChIInChI=1S/C24H25N5O5/c1-14-3-4-18(10-25-14)29-15(2)11-26(24(29)34)17-5-6-19-16(9-17)12-27(22(19)32)20-7-8-21(31)28(13-30)23(20)33/h3-6,9-10,15,20,30H,7-8,11-13H2,1-2H3
InChIKeySSQMIYDJUIUVNO-UHFFFAOYSA-N
XLogP1.65
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-(hydroxymethyl)-3-[6-[(3R,5R)-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154122
1-(hydroxymethyl)-3-[3-oxo-6-[[(2S)-piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500476
[3-(6-fluoro-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]methyl 2-methoxyethyl carbonate
CID 164846631
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
1-[(4-methoxyphenyl)methyl]-3-[3-oxo-6-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170940674
1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
CID 171100779
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341
3-[6-[4-[[1-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione
CID 146566358
benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
CID 178161357
tert-butyl (3R,4R)-3-[[2-[(3R)-2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-4-methylpiperidine-1-carboxylate
CID 175844431
4,5-diethyl-2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 69456037
tert-butyl (2S,6R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 134579791

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170628753) is 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1ccc(N2C(=O)N(c3ccc4c(c3)CN(C3CCC(=O)N(CO)C3=O)C4=O)CC2C)cn1.
What is the InChIKey of 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is SSQMIYDJUIUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14-3-4-18(10-25-14)29-15(2)11-26(24(29)34)17-5-6-19-16(9-17)12-27(22(19)32)20-7-8-21(31)28(13-30)23(20)33/h3-6,9-10,15,20,30H,7-8,11-13H2,1-2H3.
What are the key properties of 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 463.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-[6-[4-methyl-3-(6-methyl-3-pyridinyl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170628753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).