2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione

C19H17N3O3 — CID 71692572

IUPAC2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione
SMILESCCOc1cccn2cc(CCN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C19H17N3O3/c1-2-25-16-8-5-10-21-12-13(20-17(16)21)9-11-22-18(23)14-6-3-4-7-15(14)19(22)24/h3-8,10,12H,2,9,11H2,1H3
InChIKeyKEGIFCAVXVAMHW-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione

2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 71692572) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione
PubChem CID71692572
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione
SMILESCCOc1cccn2cc(CCN3C(=O)c4ccccc4C3=O)nc12
InChIInChI=1S/C19H17N3O3/c1-2-25-16-8-5-10-21-12-13(20-17(16)21)9-11-22-18(23)14-6-3-4-7-15(14)19(22)24/h3-8,10,12H,2,9,11H2,1H3
InChIKeyKEGIFCAVXVAMHW-UHFFFAOYSA-N
XLogP2.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione (CID 71692572) is 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione is CCOc1cccn2cc(CCN3C(=O)c4ccccc4C3=O)nc12.
What is the InChIKey of 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is KEGIFCAVXVAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-25-16-8-5-10-21-12-13(20-17(16)21)9-11-22-18(23)14-6-3-4-7-15(14)19(22)24/h3-8,10,12H,2,9,11H2,1H3.
What are the key properties of 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 335.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-ethoxyimidazo[1,2-a]pyridin-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 71692572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).