4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

C21H20N4O2 — CID 135649800

IUPAC4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)ccc1O
InChIInChI=1S/C21H20N4O2/c1-13-8-14(2)10-16(9-13)23-21-20(24-19-12-22-6-7-25(19)21)15-4-5-17(26)18(11-15)27-3/h4-12,23,26H,1-3H3
InChIKeySFJIVSXXTYATNE-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.47
Rot. Bonds4

About 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol

4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (PubChem CID 135649800) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
PubChem CID135649800
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)ccc1O
InChIInChI=1S/C21H20N4O2/c1-13-8-14(2)10-16(9-13)23-21-20(24-19-12-22-6-7-25(19)21)15-4-5-17(26)18(11-15)27-3/h4-12,23,26H,1-3H3
InChIKeySFJIVSXXTYATNE-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

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Related Compounds

4-[3-(4-iodoanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol
CID 136598334
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
2-methoxy-4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135674311
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
2,6-dimethoxy-4-[3-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135649774
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
3-[3-(3-chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol;N-(3-chlorophenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 160833411
N-(3,5-dimethylphenyl)-3-[[2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
CID 53039920
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-methylbenzamide
CID 53207768

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol (CID 135649800) is 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)ccc1O.
What is the InChIKey of 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
The InChIKey is SFJIVSXXTYATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-8-14(2)10-16(9-13)23-21-20(24-19-12-22-6-7-25(19)21)15-4-5-17(26)18(11-15)27-3/h4-12,23,26H,1-3H3.
What are the key properties of 4-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol?
4-[3-(3,5-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-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 135649800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).