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

C24H18F2N4O2 — CID 146403983

IUPAC6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F
InChIInChI=1S/C24H18F2N4O2/c25-17-8-2-1-5-14(17)11-19-23-29-20(12-15-6-4-10-32-15)24(31)30(23)13-21(28-19)16-7-3-9-18(27)22(16)26/h1-10,13,31H,11-12,27H2
InChIKeyZCOXIHLUZKFAPD-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.74
Rot. Bonds5

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

6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146403983) has the molecular formula C24H18F2N4O2 and a molecular weight of 432.43 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID146403983
Molecular FormulaC24H18F2N4O2
Molecular Weight432.43 g/mol
Exact Mass432.14
IUPAC Name6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
SMILESNc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F
InChIInChI=1S/C24H18F2N4O2/c25-17-8-2-1-5-14(17)11-19-23-29-20(12-15-6-4-10-32-15)24(31)30(23)13-21(28-19)16-7-3-9-18(27)22(16)26/h1-10,13,31H,11-12,27H2
InChIKeyZCOXIHLUZKFAPD-UHFFFAOYSA-N
XLogP4.74
TPSA89.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.74
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
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-[4-fluoro-3-(2-morpholin-4-ylfuro[2,3-b]pyrazin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 168271535
3-(Furan-3-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538803
8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
N-[3-(4-fluorophenyl)-6-(furan-3-yl)imidazo[1,2-a]pyridin-8-yl]formamide
CID 49778708
N-[8-(2-cyclohexylethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49789631
5-(Furan-3-yl)imidazo[1,2-a]pyridine
CID 49790932

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 146403983) is 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Nc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Cc3ccccc3F)n2)c1F.
What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is ZCOXIHLUZKFAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O2/c25-17-8-2-1-5-14(17)11-19-23-29-20(12-15-6-4-10-32-15)24(31)30(23)13-21(28-19)16-7-3-9-18(27)22(16)26/h1-10,13,31H,11-12,27H2.
What are the key properties of 6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?
6-(3-amino-2-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 432.43 g/mol, XLogP of 4.74, 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-fluorophenyl)-8-[(2-fluorophenyl)methyl]-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146403983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).