6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H16BN3O3 — CID 67055927

IUPAC6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC1(C)OB(c2cnc3[nH]c(=O)[nH]c3c2)OC1(C)C
InChIInChI=1S/C12H16BN3O3/c1-11(2)12(3,4)19-13(18-11)7-5-8-9(14-6-7)16-10(17)15-8/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyDAVIOYDLBLBRBT-UHFFFAOYSA-N
MW261.09 g/mol
LogP0.55
Rot. Bonds1

About 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 67055927) has the molecular formula C12H16BN3O3 and a molecular weight of 261.09 g/mol. Its IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID67055927
Molecular FormulaC12H16BN3O3
Molecular Weight261.09 g/mol
Exact Mass261.13
IUPAC Name6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC1(C)OB(c2cnc3[nH]c(=O)[nH]c3c2)OC1(C)C
InChIInChI=1S/C12H16BN3O3/c1-11(2)12(3,4)19-13(18-11)7-5-8-9(14-6-7)16-10(17)15-8/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyDAVIOYDLBLBRBT-UHFFFAOYSA-N
XLogP0.55
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]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

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 67055927) is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CC1(C)OB(c2cnc3[nH]c(=O)[nH]c3c2)OC1(C)C.
What is the InChIKey of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is DAVIOYDLBLBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN3O3/c1-11(2)12(3,4)19-13(18-11)7-5-8-9(14-6-7)16-10(17)15-8/h5-6H,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 261.09 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67055927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).