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

C25H19N3O2 — CID 126672892

IUPAC[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1
InChIInChI=1S/C25H19N3O2/c29-17-18-6-8-19(9-7-18)23-16-28-24(14-27-25(28)15-26-23)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-16,29H,17H2
InChIKeyKBIBUSXUDXVDSY-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.35
Rot. Bonds5

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

[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol (PubChem CID 126672892) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
PubChem CID126672892
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1
InChIInChI=1S/C25H19N3O2/c29-17-18-6-8-19(9-7-18)23-16-28-24(14-27-25(28)15-26-23)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-16,29H,17H2
InChIKeyKBIBUSXUDXVDSY-UHFFFAOYSA-N
XLogP5.35
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol (CID 126672892) is [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol is OCc1ccc(-c2cn3c(-c4ccc(Oc5ccccc5)cc4)cnc3cn2)cc1.
What is the InChIKey of [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol?
The InChIKey is KBIBUSXUDXVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-17-18-6-8-19(9-7-18)23-16-28-24(14-27-25(28)15-26-23)20-10-12-22(13-11-20)30-21-4-2-1-3-5-21/h1-16,29H,17H2.
What are the key properties of [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol?
[4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol has a molecular weight of 393.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol is sourced from PubChem (CID 126672892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).