3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol

C20H12F5N3O — CID 142401417

IUPAC3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C20H12F5N3O/c1-10-19(13-4-3-12(29)7-16(13)22)28-9-17(26-8-18(28)27-10)11-2-5-15(21)14(6-11)20(23,24)25/h2-9,29H,1H3
InChIKeyJPEDHZDPVSLXKN-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.37
Rot. Bonds2

About 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol

3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 142401417) has the molecular formula C20H12F5N3O and a molecular weight of 405.33 g/mol. Its IUPAC name is 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID142401417
Molecular FormulaC20H12F5N3O
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC Name3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C20H12F5N3O/c1-10-19(13-4-3-12(29)7-16(13)22)28-9-17(26-8-18(28)27-10)11-2-5-15(21)14(6-11)20(23,24)25/h2-9,29H,1H3
InChIKeyJPEDHZDPVSLXKN-UHFFFAOYSA-N
XLogP5.37
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol (CID 142401417) is 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol is Cc1nc2cnc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is JPEDHZDPVSLXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N3O/c1-10-19(13-4-3-12(29)7-16(13)22)28-9-17(26-8-18(28)27-10)11-2-5-15(21)14(6-11)20(23,24)25/h2-9,29H,1H3.
What are the key properties of 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol?
3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 405.33 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 142401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).