5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C25H22N4O2 — CID 162691009

IUPAC5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESCc1c(N)cccc1-c1cnc(Cc2ccccc2)c2nc(Cc3ccco3)c(O)n12
InChIInChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-27-21(13-17-7-3-2-4-8-17)24-28-22(25(30)29(23)24)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3
InChIKeyCSOOHBNXWAYQQF-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.77
Rot. Bonds5

About 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 162691009) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID162691009
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESCc1c(N)cccc1-c1cnc(Cc2ccccc2)c2nc(Cc3ccco3)c(O)n12
InChIInChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-27-21(13-17-7-3-2-4-8-17)24-28-22(25(30)29(23)24)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3
InChIKeyCSOOHBNXWAYQQF-UHFFFAOYSA-N
XLogP4.77
TPSA89.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 162691009) is 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Cc1c(N)cccc1-c1cnc(Cc2ccccc2)c2nc(Cc3ccco3)c(O)n12.
What is the InChIKey of 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is CSOOHBNXWAYQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-27-21(13-17-7-3-2-4-8-17)24-28-22(25(30)29(23)24)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3.
What are the key properties of 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 410.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 162691009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).