3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C22H15F6N3O — CID 160542123

IUPAC3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn12
InChIInChI=1S/C22H15F6N3O/c1-11-6-15(32)8-16(23)19(11)20-12(2)30-18-9-29-17(10-31(18)20)13-4-3-5-14(7-13)21(24,25)22(26,27)28/h3-10,32H,1-2H3
InChIKeyCAMZBFMIEYCMSD-UHFFFAOYSA-N
MW451.37 g/mol
LogP6.18
Rot. Bonds3

About 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 160542123) has the molecular formula C22H15F6N3O and a molecular weight of 451.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID160542123
Molecular FormulaC22H15F6N3O
Molecular Weight451.37 g/mol
Exact Mass451.11
IUPAC Name3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn12
InChIInChI=1S/C22H15F6N3O/c1-11-6-15(32)8-16(23)19(11)20-12(2)30-18-9-29-17(10-31(18)20)13-4-3-5-14(7-13)21(24,25)22(26,27)28/h3-10,32H,1-2H3
InChIKeyCAMZBFMIEYCMSD-UHFFFAOYSA-N
XLogP6.18
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401392
3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401417
3-(4-fluoro-1H-indazol-5-yl)-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 146484053
4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 146301764
5-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
CID 142401443
3-(4-fluoro-1H-indol-5-yl)-6-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 158029609
pentafluoro-[2-fluoro-5-[3-(4-fluoro-1H-indazol-5-yl)-2-methylimidazo[1,2-a]pyrazin-6-yl]phenyl]-λ6-sulfane
CID 142401426
[2-methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
CID 158320547
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227333
[3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid
CID 159851639
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 160542123) is 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is Cc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn12.
What is the InChIKey of 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is CAMZBFMIEYCMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O/c1-11-6-15(32)8-16(23)19(11)20-12(2)30-18-9-29-17(10-31(18)20)13-4-3-5-14(7-13)21(24,25)22(26,27)28/h3-10,32H,1-2H3.
What are the key properties of 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 451.37 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 160542123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).