4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol

C19H16N4O2 — CID 5309317

IUPAC4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O
InChIInChI=1S/C19H16N4O2/c1-25-16-11-13(7-8-15(16)24)18-19(21-14-5-3-2-4-6-14)23-10-9-20-12-17(23)22-18/h2-12,21,24H,1H3
InChIKeyKZMVPUIBSUVYJZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.85
Rot. Bonds4

About 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol

4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol (PubChem CID 5309317) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol
PubChem CID5309317
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O
InChIInChI=1S/C19H16N4O2/c1-25-16-11-13(7-8-15(16)24)18-19(21-14-5-3-2-4-6-14)23-10-9-20-12-17(23)22-18/h2-12,21,24H,1H3
InChIKeyKZMVPUIBSUVYJZ-UHFFFAOYSA-N
XLogP3.85
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol (CID 5309317) is 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol is COc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O.
What is the InChIKey of 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol?
The InChIKey is KZMVPUIBSUVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-16-11-13(7-8-15(16)24)18-19(21-14-5-3-2-4-6-14)23-10-9-20-12-17(23)22-18/h2-12,21,24H,1H3.
What are the key properties of 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol?
4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol has a molecular weight of 332.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilinoimidazo[1,2-a]pyrazin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 5309317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).