6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C25H22N4O2 — CID 146404026

IUPAC6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESCc1c(N)cccc1-c1cn2c(O)c(Cc3ccco3)nc2c(Cc2ccccc2)n1
InChIInChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-29-24(21(27-23)13-17-7-3-2-4-8-17)28-22(25(29)30)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3
InChIKeyPYQHWVRNMIIZEP-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.77
Rot. Bonds5

About 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404026) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404026
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESCc1c(N)cccc1-c1cn2c(O)c(Cc3ccco3)nc2c(Cc2ccccc2)n1
InChIInChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-29-24(21(27-23)13-17-7-3-2-4-8-17)28-22(25(29)30)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3
InChIKeyPYQHWVRNMIIZEP-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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Related Compounds

2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)benzamide
CID 16022385
Methyl 2-[[2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49789690
N-[6-(furan-3-yl)-3-phenylimidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791134
7-(Furan-2-yl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733894
3-(4-Fluorophenyl)-7-(furan-2-yl)imidazo[1,2-a]pyridine
CID 118733895
6-(Furan-2-yl)-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 145963459
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025704
N-methyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025705
N-ethyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025706

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404026) is 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Cc1c(N)cccc1-c1cn2c(O)c(Cc3ccco3)nc2c(Cc2ccccc2)n1.
What is the InChIKey of 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is PYQHWVRNMIIZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-19(10-5-11-20(16)26)23-15-29-24(21(27-23)13-17-7-3-2-4-8-17)28-22(25(29)30)14-18-9-6-12-31-18/h2-12,15,30H,13-14,26H2,1H3.
What are the key properties of 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(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 6-(3-amino-2-methylphenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).