3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one

C21H24N6O2 — CID 57378766

IUPAC3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3COC3)c3ccncc32)nc2ncccc21
InChIInChI=1S/C21H24N6O2/c1-14(2)6-9-25-17-4-3-7-23-20(17)24-19(25)11-26-18-10-22-8-5-16(18)27(21(26)28)15-12-29-13-15/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3
InChIKeyHJONOJFIZOPSLT-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds6

About 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one

3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 57378766) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID57378766
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3COC3)c3ccncc32)nc2ncccc21
InChIInChI=1S/C21H24N6O2/c1-14(2)6-9-25-17-4-3-7-23-20(17)24-19(25)11-26-18-10-22-8-5-16(18)27(21(26)28)15-12-29-13-15/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3
InChIKeyHJONOJFIZOPSLT-UHFFFAOYSA-N
XLogP2.61
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-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-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
CID 57378765
5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
CID 118058936
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57406132
1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 57378650
1-cyclopropyl-3-[[3-(3-methylbutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991772
[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid
CID 145239987
magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
CID 159077189
1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118131016
1-cyclopropyl-3-[[1-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 71520288
1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
CID 144839420

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one (CID 57378766) is 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(C3COC3)c3ccncc32)nc2ncccc21.
What is the InChIKey of 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is HJONOJFIZOPSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(2)6-9-25-17-4-3-7-23-20(17)24-19(25)11-26-18-10-22-8-5-16(18)27(21(26)28)15-12-29-13-15/h3-5,7-8,10,14-15H,6,9,11-13H2,1-2H3.
What are the key properties of 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one?
3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).