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

C19H11ClF3N3O — CID 162659307

IUPAC3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(Cl)c1
InChIInChI=1S/C19H11ClF3N3O/c20-15-7-13(27)4-5-14(15)17-8-25-18-9-24-16(10-26(17)18)11-2-1-3-12(6-11)19(21,22)23/h1-10,27H
InChIKeyYRENRPDBWARXNI-UHFFFAOYSA-N
MW389.76 g/mol
LogP5.44
Rot. Bonds2

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

3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 162659307) has the molecular formula C19H11ClF3N3O and a molecular weight of 389.76 g/mol. Its IUPAC name is 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID162659307
Molecular FormulaC19H11ClF3N3O
Molecular Weight389.76 g/mol
Exact Mass389.05
IUPAC Name3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(Cl)c1
InChIInChI=1S/C19H11ClF3N3O/c20-15-7-13(27)4-5-14(15)17-8-25-18-9-24-16(10-26(17)18)11-2-1-3-12(6-11)19(21,22)23/h1-10,27H
InChIKeyYRENRPDBWARXNI-UHFFFAOYSA-N
XLogP5.44
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.76
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 162659307) is 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2cnc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is YRENRPDBWARXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3O/c20-15-7-13(27)4-5-14(15)17-8-25-18-9-24-16(10-26(17)18)11-2-1-3-12(6-11)19(21,22)23/h1-10,27H.
What are the key properties of 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 389.76 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 162659307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).