2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione

C19H17N3O2 — CID 22038575

IUPAC2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)(CN1C(=O)c2ccccc2C1=O)c1ncc2ccccn12
InChIInChI=1S/C19H17N3O2/c1-19(2,18-20-11-13-7-5-6-10-21(13)18)12-22-16(23)14-8-3-4-9-15(14)17(22)24/h3-11H,12H2,1-2H3
InChIKeyRTMPJKJUZNXLKV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.91
Rot. Bonds3

About 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione

2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione (PubChem CID 22038575) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione
PubChem CID22038575
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione
SMILESCC(C)(CN1C(=O)c2ccccc2C1=O)c1ncc2ccccn12
InChIInChI=1S/C19H17N3O2/c1-19(2,18-20-11-13-7-5-6-10-21(13)18)12-22-16(23)14-8-3-4-9-15(14)17(22)24/h3-11H,12H2,1-2H3
InChIKeyRTMPJKJUZNXLKV-UHFFFAOYSA-N
XLogP2.91
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione (CID 22038575) is 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione is CC(C)(CN1C(=O)c2ccccc2C1=O)c1ncc2ccccn12.
What is the InChIKey of 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione?
The InChIKey is RTMPJKJUZNXLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-19(2,18-20-11-13-7-5-6-10-21(13)18)12-22-16(23)14-8-3-4-9-15(14)17(22)24/h3-11H,12H2,1-2H3.
What are the key properties of 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione?
2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione has a molecular weight of 319.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 22038575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).