3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

C29H26N4O — CID 67416927

IUPAC3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4-c4ccccc4)c3)c12
InChIInChI=1S/C29H26N4O/c30-28-27-26(32-29(21-11-6-12-21)33(27)17-16-31-28)22-13-7-14-24(18-22)34-19-23-10-4-5-15-25(23)20-8-2-1-3-9-20/h1-5,7-10,13-18,21H,6,11-12,19H2,(H2,30,31)
InChIKeyFGERXECQSHBIKJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.49
Rot. Bonds6

About 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 67416927) has the molecular formula C29H26N4O and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID67416927
Molecular FormulaC29H26N4O
Molecular Weight446.55 g/mol
Exact Mass446.21
IUPAC Name3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4-c4ccccc4)c3)c12
InChIInChI=1S/C29H26N4O/c30-28-27-26(32-29(21-11-6-12-21)33(27)17-16-31-28)22-13-7-14-24(18-22)34-19-23-10-4-5-15-25(23)20-8-2-1-3-9-20/h1-5,7-10,13-18,21H,6,11-12,19H2,(H2,30,31)
InChIKeyFGERXECQSHBIKJ-UHFFFAOYSA-N
XLogP6.49
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.49
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-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 67416927) is 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4-c4ccccc4)c3)c12.
What is the InChIKey of 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is FGERXECQSHBIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O/c30-28-27-26(32-29(21-11-6-12-21)33(27)17-16-31-28)22-13-7-14-24(18-22)34-19-23-10-4-5-15-25(23)20-8-2-1-3-9-20/h1-5,7-10,13-18,21H,6,11-12,19H2,(H2,30,31).
What are the key properties of 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 446.55 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 67416927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).