3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

C28H29N5O3 — CID 138577662

IUPAC3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(-n6cccn6)cc5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H29N5O3/c34-26-9-8-25(27(35)30-26)32-18-22-16-21(4-7-24(22)28(32)36)20-10-14-31(15-11-20)17-19-2-5-23(6-3-19)33-13-1-12-29-33/h1-7,12-13,16,20,25H,8-11,14-15,17-18H2,(H,30,34,35)
InChIKeyFYHGDCNVRQYJDO-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.01
Rot. Bonds5

About 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 138577662) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID138577662
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(-n6cccn6)cc5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C28H29N5O3/c34-26-9-8-25(27(35)30-26)32-18-22-16-21(4-7-24(22)28(32)36)20-10-14-31(15-11-20)17-19-2-5-23(6-3-19)33-13-1-12-29-33/h1-7,12-13,16,20,25H,8-11,14-15,17-18H2,(H,30,34,35)
InChIKeyFYHGDCNVRQYJDO-UHFFFAOYSA-N
XLogP3.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-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 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 138577662) is 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(-n6cccn6)cc5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FYHGDCNVRQYJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-26-9-8-25(27(35)30-26)32-18-22-16-21(4-7-24(22)28(32)36)20-10-14-31(15-11-20)17-19-2-5-23(6-3-19)33-13-1-12-29-33/h1-7,12-13,16,20,25H,8-11,14-15,17-18H2,(H,30,34,35).
What are the key properties of 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.57 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 138577662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).