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

C19H22BN3O2 — CID 140798283

IUPAC3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cn23)n1
InChIInChI=1S/C19H22BN3O2/c1-13-7-6-8-16(22-13)17-21-11-15-10-9-14(12-23(15)17)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3
InChIKeyAMOBUQWCXNHACU-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.00
Rot. Bonds2

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

3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine (PubChem CID 140798283) has the molecular formula C19H22BN3O2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
PubChem CID140798283
Molecular FormulaC19H22BN3O2
Molecular Weight335.22 g/mol
Exact Mass335.18
IUPAC Name3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
SMILESCc1cccc(-c2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cn23)n1
InChIInChI=1S/C19H22BN3O2/c1-13-7-6-8-16(22-13)17-21-11-15-10-9-14(12-23(15)17)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3
InChIKeyAMOBUQWCXNHACU-UHFFFAOYSA-N
XLogP3.00
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]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-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine (CID 140798283) is 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine is Cc1cccc(-c2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cn23)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine?
The InChIKey is AMOBUQWCXNHACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BN3O2/c1-13-7-6-8-16(22-13)17-21-11-15-10-9-14(12-23(15)17)20-24-18(2,3)19(4,5)25-20/h6-12H,1-5H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine?
3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine has a molecular weight of 335.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 140798283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).