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

C21H24N4OS — CID 44539386

IUPAC3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(SC4CCCCO4)cc3)c12
InChIInChI=1S/C21H24N4OS/c22-20-19-18(24-21(15-4-3-5-15)25(19)12-11-23-20)14-7-9-16(10-8-14)27-17-6-1-2-13-26-17/h7-12,15,17H,1-6,13H2,(H2,22,23)
InChIKeyVCRKTMCUNTVTSD-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.86
Rot. Bonds4

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

3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 44539386) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID44539386
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(SC4CCCCO4)cc3)c12
InChIInChI=1S/C21H24N4OS/c22-20-19-18(24-21(15-4-3-5-15)25(19)12-11-23-20)14-7-9-16(10-8-14)27-17-6-1-2-13-26-17/h7-12,15,17H,1-6,13H2,(H2,22,23)
InChIKeyVCRKTMCUNTVTSD-UHFFFAOYSA-N
XLogP4.86
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 44539386) is 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc(SC4CCCCO4)cc3)c12.
What is the InChIKey of 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VCRKTMCUNTVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c22-20-19-18(24-21(15-4-3-5-15)25(19)12-11-23-20)14-7-9-16(10-8-14)27-17-6-1-2-13-26-17/h7-12,15,17H,1-6,13H2,(H2,22,23).
What are the key properties of 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 380.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 44539386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).