N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine

C24H32BN3O2 — CID 59824133

IUPACN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccc(C)c1CNc1cc(B2OC(C)(C)C(C)(C)O2)cn2c(C)c(C)nc12
InChIInChI=1S/C24H32BN3O2/c1-15-10-9-11-16(2)20(15)13-26-21-12-19(14-28-18(4)17(3)27-22(21)28)25-29-23(5,6)24(7,8)30-25/h9-12,14,26H,13H2,1-8H3
InChIKeyYPJPICCGBNMEEI-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.48
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 59824133) has the molecular formula C24H32BN3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID59824133
Molecular FormulaC24H32BN3O2
Molecular Weight405.35 g/mol
Exact Mass405.26
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1cccc(C)c1CNc1cc(B2OC(C)(C)C(C)(C)O2)cn2c(C)c(C)nc12
InChIInChI=1S/C24H32BN3O2/c1-15-10-9-11-16(2)20(15)13-26-21-12-19(14-28-18(4)17(3)27-22(21)28)25-29-23(5,6)24(7,8)30-25/h9-12,14,26H,13H2,1-8H3
InChIKeyYPJPICCGBNMEEI-UHFFFAOYSA-N
XLogP4.48
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine 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 N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine (CID 59824133) is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine is Cc1cccc(C)c1CNc1cc(B2OC(C)(C)C(C)(C)O2)cn2c(C)c(C)nc12.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is YPJPICCGBNMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BN3O2/c1-15-10-9-11-16(2)20(15)13-26-21-12-19(14-28-18(4)17(3)27-22(21)28)25-29-23(5,6)24(7,8)30-25/h9-12,14,26H,13H2,1-8H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine?
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 405.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 59824133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).