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

C27H30N4O — CID 67417761

IUPAC3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCN(CC)c1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C27H30N4O/c1-3-30(4-2)27-25-24(29-26(21-12-8-13-21)31(25)17-16-28-27)22-14-9-15-23(18-22)32-19-20-10-6-5-7-11-20/h5-7,9-11,14-18,21H,3-4,8,12-13,19H2,1-2H3
InChIKeyAKIDXKZOEBOLCG-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.09
Rot. Bonds8

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

3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 67417761) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID67417761
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCN(CC)c1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C27H30N4O/c1-3-30(4-2)27-25-24(29-26(21-12-8-13-21)31(25)17-16-28-27)22-14-9-15-23(18-22)32-19-20-10-6-5-7-11-20/h5-7,9-11,14-18,21H,3-4,8,12-13,19H2,1-2H3
InChIKeyAKIDXKZOEBOLCG-UHFFFAOYSA-N
XLogP6.09
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 67417761) is 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CCN(CC)c1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is AKIDXKZOEBOLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-3-30(4-2)27-25-24(29-26(21-12-8-13-21)31(25)17-16-28-27)22-14-9-15-23(18-22)32-19-20-10-6-5-7-11-20/h5-7,9-11,14-18,21H,3-4,8,12-13,19H2,1-2H3.
What are the key properties of 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 426.56 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 67417761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).