5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one

C13H19N3O — CID 68916176

IUPAC5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ccc(CC)nc21
InChIInChI=1S/C13H19N3O/c1-3-5-6-9-16-12-11(15-13(16)17)8-7-10(4-2)14-12/h7-8H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyPURMCKNXGWUOHM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds5

About 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one

5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 68916176) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID68916176
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ccc(CC)nc21
InChIInChI=1S/C13H19N3O/c1-3-5-6-9-16-12-11(15-13(16)17)8-7-10(4-2)14-12/h7-8H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyPURMCKNXGWUOHM-UHFFFAOYSA-N
XLogP2.48
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one (CID 68916176) is 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ccc(CC)nc21.
What is the InChIKey of 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PURMCKNXGWUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-5-6-9-16-12-11(15-13(16)17)8-7-10(4-2)14-12/h7-8H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one?
5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pentyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).