6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

C22H18F3N3O — CID 162651424

IUPAC6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(C)c1cccc(-c2cn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cn2)c1
InChIInChI=1S/C22H18F3N3O/c1-14(2)16-4-3-5-17(10-16)19-13-28-20(11-27-21(28)12-26-19)15-6-8-18(9-7-15)29-22(23,24)25/h3-14H,1-2H3
InChIKeyUZQRLAXYPRKLAA-UHFFFAOYSA-N
MW397.40 g/mol
LogP6.09
Rot. Bonds4

About 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 162651424) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
PubChem CID162651424
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCC(C)c1cccc(-c2cn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cn2)c1
InChIInChI=1S/C22H18F3N3O/c1-14(2)16-4-3-5-17(10-16)19-13-28-20(11-27-21(28)12-26-19)15-6-8-18(9-7-15)29-22(23,24)25/h3-14H,1-2H3
InChIKeyUZQRLAXYPRKLAA-UHFFFAOYSA-N
XLogP6.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (CID 162651424) is 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is CC(C)c1cccc(-c2cn3c(-c4ccc(OC(F)(F)F)cc4)cnc3cn2)c1.
What is the InChIKey of 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is UZQRLAXYPRKLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c1-14(2)16-4-3-5-17(10-16)19-13-28-20(11-27-21(28)12-26-19)15-6-8-18(9-7-15)29-22(23,24)25/h3-14H,1-2H3.
What are the key properties of 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 397.40 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 162651424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).