3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine

C24H23FN4 — CID 143899191

IUPAC3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(F)c1
InChIInChI=1S/C24H23FN4/c1-15(16-6-3-2-4-7-16)18-10-11-19(20(25)14-18)21-22-23(26)27-12-13-29(22)24(28-21)17-8-5-9-17/h2-4,6-7,10-15,17H,5,8-9H2,1H3,(H2,26,27)
InChIKeyRPEDDTLPLCRUIV-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.54
Rot. Bonds4

About 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143899191) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID143899191
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(F)c1
InChIInChI=1S/C24H23FN4/c1-15(16-6-3-2-4-7-16)18-10-11-19(20(25)14-18)21-22-23(26)27-12-13-29(22)24(28-21)17-8-5-9-17/h2-4,6-7,10-15,17H,5,8-9H2,1H3,(H2,26,27)
InChIKeyRPEDDTLPLCRUIV-UHFFFAOYSA-N
XLogP5.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 143899191) is 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine is CC(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)c(F)c1.
What is the InChIKey of 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is RPEDDTLPLCRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-15(16-6-3-2-4-7-16)18-10-11-19(20(25)14-18)21-22-23(26)27-12-13-29(22)24(28-21)17-8-5-9-17/h2-4,6-7,10-15,17H,5,8-9H2,1H3,(H2,26,27).
What are the key properties of 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 386.47 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143899191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).