2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione

C18H16N4O3 — CID 45106186

IUPAC2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESCOCCn1c(CN2C(=O)c3ccccc3C2=O)nc2cccnc21
InChIInChI=1S/C18H16N4O3/c1-25-10-9-21-15(20-14-7-4-8-19-16(14)21)11-22-17(23)12-5-2-3-6-13(12)18(22)24/h2-8H,9-11H2,1H3
InChIKeyPDAYYIGPUGGUHK-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.87
Rot. Bonds5

About 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione

2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 45106186) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione
PubChem CID45106186
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESCOCCn1c(CN2C(=O)c3ccccc3C2=O)nc2cccnc21
InChIInChI=1S/C18H16N4O3/c1-25-10-9-21-15(20-14-7-4-8-19-16(14)21)11-22-17(23)12-5-2-3-6-13(12)18(22)24/h2-8H,9-11H2,1H3
InChIKeyPDAYYIGPUGGUHK-UHFFFAOYSA-N
XLogP1.87
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione (CID 45106186) is 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione is COCCn1c(CN2C(=O)c3ccccc3C2=O)nc2cccnc21.
What is the InChIKey of 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is PDAYYIGPUGGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-25-10-9-21-15(20-14-7-4-8-19-16(14)21)11-22-17(23)12-5-2-3-6-13(12)18(22)24/h2-8H,9-11H2,1H3.
What are the key properties of 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione?
2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 336.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 45106186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).