[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

C18H16N4O2 — CID 126472649

IUPAC[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc3c(NCc4ccco4)nccn23)c1
InChIInChI=1S/C18H16N4O2/c23-12-13-3-1-4-14(9-13)16-11-21-18-17(19-6-7-22(16)18)20-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,20)
InChIKeyKKDGFHZYHKEOCM-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.09
Rot. Bonds5

About [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol

[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (PubChem CID 126472649) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
PubChem CID126472649
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc3c(NCc4ccco4)nccn23)c1
InChIInChI=1S/C18H16N4O2/c23-12-13-3-1-4-14(9-13)16-11-21-18-17(19-6-7-22(16)18)20-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,20)
InChIKeyKKDGFHZYHKEOCM-UHFFFAOYSA-N
XLogP3.09
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol (CID 126472649) is [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is OCc1cccc(-c2cnc3c(NCc4ccco4)nccn23)c1.
What is the InChIKey of [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
The InChIKey is KKDGFHZYHKEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-12-13-3-1-4-14(9-13)16-11-21-18-17(19-6-7-22(16)18)20-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,20).
What are the key properties of [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol?
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol has a molecular weight of 320.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).