3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

C24H21F3N4O — CID 67416841

IUPAC3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)c12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)18-8-1-4-15(12-18)14-32-19-9-3-7-17(13-19)20-21-22(28)29-10-11-31(21)23(30-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,28,29)
InChIKeySROWRAAUYYETAS-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.84
Rot. Bonds5

About 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 67416841) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID67416841
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)c12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)18-8-1-4-15(12-18)14-32-19-9-3-7-17(13-19)20-21-22(28)29-10-11-31(21)23(30-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,28,29)
InChIKeySROWRAAUYYETAS-UHFFFAOYSA-N
XLogP5.84
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 67416841) is 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)c12.
What is the InChIKey of 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is SROWRAAUYYETAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-24(26,27)18-8-1-4-15(12-18)14-32-19-9-3-7-17(13-19)20-21-22(28)29-10-11-31(21)23(30-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,28,29).
What are the key properties of 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 438.45 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 67416841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).