4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol

C23H15F6N3O — CID 146301764

IUPAC4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
SMILESOc1cc(F)c(-c2c(C3CCC3)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)c(F)c1
InChIInChI=1S/C23H15F6N3O/c24-15-5-4-12(6-14(15)23(27,28)29)18-10-32-19(9-30-18)31-21(11-2-1-3-11)22(32)20-16(25)7-13(33)8-17(20)26/h4-11,33H,1-3H2
InChIKeyRFGCIPNCAFVMGD-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.47
Rot. Bonds3

About 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol

4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol (PubChem CID 146301764) has the molecular formula C23H15F6N3O and a molecular weight of 463.38 g/mol. Its IUPAC name is 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
PubChem CID146301764
Molecular FormulaC23H15F6N3O
Molecular Weight463.38 g/mol
Exact Mass463.11
IUPAC Name4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
SMILESOc1cc(F)c(-c2c(C3CCC3)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)c(F)c1
InChIInChI=1S/C23H15F6N3O/c24-15-5-4-12(6-14(15)23(27,28)29)18-10-32-19(9-30-18)31-21(11-2-1-3-11)22(32)20-16(25)7-13(33)8-17(20)26/h4-11,33H,1-3H2
InChIKeyRFGCIPNCAFVMGD-UHFFFAOYSA-N
XLogP6.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The IUPAC name of 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol (CID 146301764) is 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol.
What is the SMILES notation for 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The canonical SMILES for 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol is Oc1cc(F)c(-c2c(C3CCC3)nc3cnc(-c4ccc(F)c(C(F)(F)F)c4)cn23)c(F)c1.
What is the InChIKey of 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
The InChIKey is RFGCIPNCAFVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O/c24-15-5-4-12(6-14(15)23(27,28)29)18-10-32-19(9-30-18)31-21(11-2-1-3-11)22(32)20-16(25)7-13(33)8-17(20)26/h4-11,33H,1-3H2.
What are the key properties of 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol?
4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol has a molecular weight of 463.38 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclobutyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol is sourced from PubChem (CID 146301764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).