3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine

C13H18BN3O2 — CID 46736783

IUPAC3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(B3OC(C)(C)C(C)(C)O3)cnc21
InChIInChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-6-10-11(15-7-9)17(5)8-16-10/h6-8H,1-5H3
InChIKeyNPIHDNDJLVIFGB-UHFFFAOYSA-N
MW259.12 g/mol
LogP1.27
Rot. Bonds1

About 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 46736783) has the molecular formula C13H18BN3O2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID46736783
Molecular FormulaC13H18BN3O2
Molecular Weight259.12 g/mol
Exact Mass259.15
IUPAC Name3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine
SMILESCn1cnc2cc(B3OC(C)(C)C(C)(C)O3)cnc21
InChIInChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-6-10-11(15-7-9)17(5)8-16-10/h6-8H,1-5H3
InChIKeyNPIHDNDJLVIFGB-UHFFFAOYSA-N
XLogP1.27
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine 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 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine (CID 46736783) is 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine is Cn1cnc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.
What is the InChIKey of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is NPIHDNDJLVIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)9-6-10-11(15-7-9)17(5)8-16-10/h6-8H,1-5H3.
What are the key properties of 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine?
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 259.12 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46736783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).