[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride

C19H22ClN3O3 — CID 22672630

IUPAC[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cccc(C)c1CNc1cccn2c(C)c(C)nc12.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-12-7-5-9-17(25-19(23)24-4)15(12)11-20-16-8-6-10-22-14(3)13(2)21-18(16)22;/h5-10,20H,11H2,1-4H3;1H
InChIKeyCGXOCGVLXUXONA-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.44
Rot. Bonds4

About [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride

[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride (PubChem CID 22672630) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride.

Molecular Properties

Compound Name[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
PubChem CID22672630
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cccc(C)c1CNc1cccn2c(C)c(C)nc12.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-12-7-5-9-17(25-19(23)24-4)15(12)11-20-16-8-6-10-22-14(3)13(2)21-18(16)22;/h5-10,20H,11H2,1-4H3;1H
InChIKeyCGXOCGVLXUXONA-UHFFFAOYSA-N
XLogP4.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride 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 [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride?
The IUPAC name of [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride (CID 22672630) is [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride.
What is the SMILES notation for [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride?
The canonical SMILES for [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride is COC(=O)Oc1cccc(C)c1CNc1cccn2c(C)c(C)nc12.Cl.
What is the InChIKey of [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride?
The InChIKey is CGXOCGVLXUXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-12-7-5-9-17(25-19(23)24-4)15(12)11-20-16-8-6-10-22-14(3)13(2)21-18(16)22;/h5-10,20H,11H2,1-4H3;1H.
What are the key properties of [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride?
[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl] methyl carbonate;hydrochloride is sourced from PubChem (CID 22672630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).