2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde

C14H17N3O2 — CID 58710621

IUPAC2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)n(C2CCCCC2)c2ncccc21
InChIInChI=1S/C14H17N3O2/c18-10-9-16-12-7-4-8-15-13(12)17(14(16)19)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2
InChIKeySPJZXGZYECOHSK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde

2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde (PubChem CID 58710621) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
PubChem CID58710621
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1c(=O)n(C2CCCCC2)c2ncccc21
InChIInChI=1S/C14H17N3O2/c18-10-9-16-12-7-4-8-15-13(12)17(14(16)19)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2
InChIKeySPJZXGZYECOHSK-UHFFFAOYSA-N
XLogP1.90
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde (CID 58710621) is 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde is O=CCn1c(=O)n(C2CCCCC2)c2ncccc21.
What is the InChIKey of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde?
The InChIKey is SPJZXGZYECOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-9-16-12-7-4-8-15-13(12)17(14(16)19)11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2.
What are the key properties of 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde?
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde has a molecular weight of 259.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde is sourced from PubChem (CID 58710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).