4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol

C21H15F4N3O — CID 142401403

IUPAC4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol
SMILESCCc1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C21H15F4N3O/c1-2-17-20(15-7-6-14(29)9-16(15)22)28-11-18(26-10-19(28)27-17)12-4-3-5-13(8-12)21(23,24)25/h3-11,29H,2H2,1H3
InChIKeyUHCSSCWMGOLRAD-UHFFFAOYSA-N
MW401.36 g/mol
LogP5.49
Rot. Bonds3

About 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol

4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol (PubChem CID 142401403) has the molecular formula C21H15F4N3O and a molecular weight of 401.36 g/mol. Its IUPAC name is 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol
PubChem CID142401403
Molecular FormulaC21H15F4N3O
Molecular Weight401.36 g/mol
Exact Mass401.12
IUPAC Name4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol
SMILESCCc1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C21H15F4N3O/c1-2-17-20(15-7-6-14(29)9-16(15)22)28-11-18(26-10-19(28)27-17)12-4-3-5-13(8-12)21(23,24)25/h3-11,29H,2H2,1H3
InChIKeyUHCSSCWMGOLRAD-UHFFFAOYSA-N
XLogP5.49
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.36
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol?
The IUPAC name of 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol (CID 142401403) is 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol.
What is the SMILES notation for 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol?
The canonical SMILES for 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol is CCc1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F.
What is the InChIKey of 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol?
The InChIKey is UHCSSCWMGOLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O/c1-2-17-20(15-7-6-14(29)9-16(15)22)28-11-18(26-10-19(28)27-17)12-4-3-5-13(8-12)21(23,24)25/h3-11,29H,2H2,1H3.
What are the key properties of 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol?
4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol has a molecular weight of 401.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3-fluorophenol is sourced from PubChem (CID 142401403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).