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

C20H17N3O2 — CID 155560446

IUPAC[4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(-c4ccccc4CO)cn23)cc1
InChIInChI=1S/C20H17N3O2/c24-12-14-5-7-15(8-6-14)19-9-22-20-10-21-18(11-23(19)20)17-4-2-1-3-16(17)13-25/h1-11,24-25H,12-13H2
InChIKeyAKMDMXBWZVJPMT-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.05
Rot. Bonds4

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

[4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 155560446) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID155560446
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2cnc3cnc(-c4ccccc4CO)cn23)cc1
InChIInChI=1S/C20H17N3O2/c24-12-14-5-7-15(8-6-14)19-9-22-20-10-21-18(11-23(19)20)17-4-2-1-3-16(17)13-25/h1-11,24-25H,12-13H2
InChIKeyAKMDMXBWZVJPMT-UHFFFAOYSA-N
XLogP3.05
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 155560446) is [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is OCc1ccc(-c2cnc3cnc(-c4ccccc4CO)cn23)cc1.
What is the InChIKey of [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is AKMDMXBWZVJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-12-14-5-7-15(8-6-14)19-9-22-20-10-21-18(11-23(19)20)17-4-2-1-3-16(17)13-25/h1-11,24-25H,12-13H2.
What are the key properties of [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 155560446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).