4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

C21H20N4O2 — CID 135476877

IUPAC4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C21H20N4O2/c1-13-5-4-6-14(2)19(13)24-21-20(23-18-12-22-9-10-25(18)21)15-7-8-16(26)17(11-15)27-3/h4-12,24,26H,1-3H3
InChIKeyMZNYWMDAODWBCD-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.47
Rot. Bonds4

About 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (PubChem CID 135476877) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
PubChem CID135476877
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C21H20N4O2/c1-13-5-4-6-14(2)19(13)24-21-20(23-18-12-22-9-10-25(18)21)15-7-8-16(26)17(11-15)27-3/h4-12,24,26H,1-3H3
InChIKeyMZNYWMDAODWBCD-UHFFFAOYSA-N
XLogP4.47
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol 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 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (CID 135476877) is 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3cnccn3c2Nc2c(C)cccc2C)ccc1O.
What is the InChIKey of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The InChIKey is MZNYWMDAODWBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-5-4-6-14(2)19(13)24-21-20(23-18-12-22-9-10-25(18)21)15-7-8-16(26)17(11-15)27-3/h4-12,24,26H,1-3H3.
What are the key properties of 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol has a molecular weight of 360.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135476877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).