3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one

C14H15N3O2 — CID 1234939

IUPAC3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(c2nc3ncccc3[nH]2)=C(O)C1
InChIInChI=1S/C14H15N3O2/c1-14(2)6-9(18)11(10(19)7-14)13-16-8-4-3-5-15-12(8)17-13/h3-5,18H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyMCRLWMYJANKOAL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.62
Rot. Bonds1

About 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one

3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 1234939) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID1234939
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C(c2nc3ncccc3[nH]2)=C(O)C1
InChIInChI=1S/C14H15N3O2/c1-14(2)6-9(18)11(10(19)7-14)13-16-8-4-3-5-15-12(8)17-13/h3-5,18H,6-7H2,1-2H3,(H,15,16,17)
InChIKeyMCRLWMYJANKOAL-UHFFFAOYSA-N
XLogP2.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-5,5-dimethyl-2-(2-sulfanylidene-1H-quinazolin-4-yl)cyclohex-2-en-1-one
CID 136722325
[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
CID 10083598
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
2-(5-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 55144799
2-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136712580
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 82883627
CID 59368109
CID 59368109
2-methyl-1H-imidazo[4,5-b]pyridine;sulfuric acid
CID 172837895
2-(1H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 69046529
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
2-(5-methylfuran-2-yl)-1H-imidazo[4,5-b]pyridine
CID 14369059
5-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 63259845

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one (CID 1234939) is 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C(c2nc3ncccc3[nH]2)=C(O)C1.
What is the InChIKey of 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is MCRLWMYJANKOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(2)6-9(18)11(10(19)7-14)13-16-8-4-3-5-15-12(8)17-13/h3-5,18H,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one?
3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 257.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 1234939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).