3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C23H22N4O — CID 11773105

IUPAC3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C23H22N4O/c24-22-21-20(26-23(17-8-4-9-17)27(21)13-12-25-22)18-10-5-11-19(14-18)28-15-16-6-2-1-3-7-16/h1-3,5-7,10-14,17H,4,8-9,15H2,(H2,24,25)
InChIKeyCUUVDXRUAQXJBV-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.82
Rot. Bonds5

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

3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11773105) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11773105
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C23H22N4O/c24-22-21-20(26-23(17-8-4-9-17)27(21)13-12-25-22)18-10-5-11-19(14-18)28-15-16-6-2-1-3-7-16/h1-3,5-7,10-14,17H,4,8-9,15H2,(H2,24,25)
InChIKeyCUUVDXRUAQXJBV-UHFFFAOYSA-N
XLogP4.82
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.82
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-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 11773105) is 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CUUVDXRUAQXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22-21-20(26-23(17-8-4-9-17)27(21)13-12-25-22)18-10-5-11-19(14-18)28-15-16-6-2-1-3-7-16/h1-3,5-7,10-14,17H,4,8-9,15H2,(H2,24,25).
What are the key properties of 3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 370.46 g/mol, XLogP of 4.82, 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-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11773105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).