3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C22H16F5N3O — CID 142401399

IUPAC3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C22H16F5N3O/c1-11(2)20-21(19-15(23)7-14(31)8-16(19)24)30-10-17(28-9-18(30)29-20)12-4-3-5-13(6-12)22(25,26)27/h3-11,31H,1-2H3
InChIKeyBXKXXUZJHVSFIM-UHFFFAOYSA-N
MW433.38 g/mol
LogP6.19
Rot. Bonds3

About 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 142401399) has the molecular formula C22H16F5N3O and a molecular weight of 433.38 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID142401399
Molecular FormulaC22H16F5N3O
Molecular Weight433.38 g/mol
Exact Mass433.12
IUPAC Name3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F
InChIInChI=1S/C22H16F5N3O/c1-11(2)20-21(19-15(23)7-14(31)8-16(19)24)30-10-17(28-9-18(30)29-20)12-4-3-5-13(6-12)22(25,26)27/h3-11,31H,1-2H3
InChIKeyBXKXXUZJHVSFIM-UHFFFAOYSA-N
XLogP6.19
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 142401399) is 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is BXKXXUZJHVSFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O/c1-11(2)20-21(19-15(23)7-14(31)8-16(19)24)30-10-17(28-9-18(30)29-20)12-4-3-5-13(6-12)22(25,26)27/h3-11,31H,1-2H3.
What are the key properties of 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 433.38 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 142401399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).