6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C24H19FN4O2 — CID 146404001

IUPAC6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)ccc1F
InChIInChI=1S/C24H19FN4O2/c25-18-9-8-16(12-19(18)26)22-14-29-23(20(27-22)11-15-5-2-1-3-6-15)28-21(24(29)30)13-17-7-4-10-31-17/h1-10,12,14,30H,11,13,26H2
InChIKeyFKBBXYDWKOGNKC-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.60
Rot. Bonds5

About 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146404001) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146404001
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)ccc1F
InChIInChI=1S/C24H19FN4O2/c25-18-9-8-16(12-19(18)26)22-14-29-23(20(27-22)11-15-5-2-1-3-6-15)28-21(24(29)30)13-17-7-4-10-31-17/h1-10,12,14,30H,11,13,26H2
InChIKeyFKBBXYDWKOGNKC-UHFFFAOYSA-N
XLogP4.60
TPSA89.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.60
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-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methyl-2-phenoxyacetamide
CID 49786482
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
2-Fluoro-5-[7-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 118733892
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
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-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146404001) is 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Nc1cc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3)n2)ccc1F.
What is the InChIKey of 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is FKBBXYDWKOGNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-18-9-8-16(12-19(18)26)22-14-29-23(20(27-22)11-15-5-2-1-3-6-15)28-21(24(29)30)13-17-7-4-10-31-17/h1-10,12,14,30H,11,13,26H2.
What are the key properties of 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 414.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-fluorophenyl)-8-benzyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146404001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).