1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

C20H15N3O2 — CID 162657795

IUPAC1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C20H15N3O2/c1-13(24)15-3-2-4-16(9-15)18-12-23-19(10-22-20(23)11-21-18)14-5-7-17(25)8-6-14/h2-12,25H,1H3
InChIKeyMNMKFQXHQHGAMJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.97
Rot. Bonds3

About 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (PubChem CID 162657795) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
PubChem CID162657795
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C20H15N3O2/c1-13(24)15-3-2-4-16(9-15)18-12-23-19(10-22-20(23)11-21-18)14-5-7-17(25)8-6-14/h2-12,25H,1H3
InChIKeyMNMKFQXHQHGAMJ-UHFFFAOYSA-N
XLogP3.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (CID 162657795) is 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is CC(=O)c1cccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1.
What is the InChIKey of 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The InChIKey is MNMKFQXHQHGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13(24)15-3-2-4-16(9-15)18-12-23-19(10-22-20(23)11-21-18)14-5-7-17(25)8-6-14/h2-12,25H,1H3.
What are the key properties of 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone has a molecular weight of 329.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is sourced from PubChem (CID 162657795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).