3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C24H25N5O3 — CID 177144092

About 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177144092) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 177144092
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)Nc1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2ccccn12
• InChI: InChI=1S/C24H25N5O3/c1-24(2,3)27-21-20(25-18-6-4-5-11-28(18)21)14-7-8-16-15(12-14)13-29(23(16)32)17-9-10-19(30)26-22(17)31/h4-8,11-12,17,27H,9-10,13H2,1-3H3,(H,26,30,31)
• InChIKey: IFLAYQIAAFCPNM-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 95.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177144092) is 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)(C)Nc1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2ccccn12.

What is the InChIKey of 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is IFLAYQIAAFCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,3)27-21-20(25-18-6-4-5-11-28(18)21)14-7-8-16-15(12-14)13-29(23(16)32)17-9-10-19(30)26-22(17)31/h4-8,11-12,17,27H,9-10,13H2,1-3H3,(H,26,30,31).

What are the key properties of 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 431.50 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177144092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).