4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol

C19H14ClFN4O — CID 137372504

IUPAC4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol
SMILESCc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc(Cl)c1O
InChIInChI=1S/C19H14ClFN4O/c1-10-7-12(9-14(20)17(10)26)16-15(11-3-2-4-13(21)8-11)24-18(22)19-23-5-6-25(16)19/h2-9,26H,1H3,(H2,22,24)
InChIKeyXNJVVQMAXHWFSE-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.45
Rot. Bonds2

About 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol

4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol (PubChem CID 137372504) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol
PubChem CID137372504
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol
SMILESCc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc(Cl)c1O
InChIInChI=1S/C19H14ClFN4O/c1-10-7-12(9-14(20)17(10)26)16-15(11-3-2-4-13(21)8-11)24-18(22)19-23-5-6-25(16)19/h2-9,26H,1H3,(H2,22,24)
InChIKeyXNJVVQMAXHWFSE-UHFFFAOYSA-N
XLogP4.45
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol?
The IUPAC name of 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol (CID 137372504) is 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol.
What is the SMILES notation for 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol?
The canonical SMILES for 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol is Cc1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc(Cl)c1O.
What is the InChIKey of 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol?
The InChIKey is XNJVVQMAXHWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-10-7-12(9-14(20)17(10)26)16-15(11-3-2-4-13(21)8-11)24-18(22)19-23-5-6-25(16)19/h2-9,26H,1H3,(H2,22,24).
What are the key properties of 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol?
4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol has a molecular weight of 368.80 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-2-chloro-6-methylphenol is sourced from PubChem (CID 137372504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).