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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Related Compounds

Sb-202190
CID 5169
RP107
CID 448912
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
TP003
CID 10001434
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
4-(Imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
CID 764266
2-[2-Fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
CID 10000391
2-(4-Methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 828003
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
Coelenterazine
CID 135445694
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928

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).