3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol

C22H15F6N3O — CID 137287267

IUPAC3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C22H15F6N3O/c1-10(2)20-21(19-15(24)6-12(32)7-16(19)25)31-9-17(29-8-18(31)30-20)11-3-4-14(23)13(5-11)22(26,27)28/h3-10,32H,1-2H3
InChIKeyCZAUPTNFNPERHY-UHFFFAOYSA-N
MW451.37 g/mol
LogP6.33
Rot. Bonds3

About 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol

3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137287267) has the molecular formula C22H15F6N3O and a molecular weight of 451.37 g/mol. Its IUPAC name is 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137287267
Molecular FormulaC22H15F6N3O
Molecular Weight451.37 g/mol
Exact Mass451.11
IUPAC Name3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C22H15F6N3O/c1-10(2)20-21(19-15(24)6-12(32)7-16(19)25)31-9-17(29-8-18(31)30-20)11-3-4-14(23)13(5-11)22(26,27)28/h3-10,32H,1-2H3
InChIKeyCZAUPTNFNPERHY-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol (CID 137287267) is 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is CZAUPTNFNPERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O/c1-10(2)20-21(19-15(24)6-12(32)7-16(19)25)31-9-17(29-8-18(31)30-20)11-3-4-14(23)13(5-11)22(26,27)28/h3-10,32H,1-2H3.
What are the key properties of 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 451.37 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137287267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).