5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C25H26N4O3 — CID 154658367

IUPAC5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)nc(C3CCOCC3)n12
InChIInChI=1S/C25H26N4O3/c1-2-31-21-16-27-24(26)23-22(28-25(29(21)23)18-12-14-30-15-13-18)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-11,16,18H,2,12-15H2,1H3,(H2,26,27)
InChIKeyILIROAJJZQATOU-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.06
Rot. Bonds6

About 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 154658367) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID154658367
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)nc(C3CCOCC3)n12
InChIInChI=1S/C25H26N4O3/c1-2-31-21-16-27-24(26)23-22(28-25(29(21)23)18-12-14-30-15-13-18)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-11,16,18H,2,12-15H2,1H3,(H2,26,27)
InChIKeyILIROAJJZQATOU-UHFFFAOYSA-N
XLogP5.06
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 154658367) is 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CCOc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)nc(C3CCOCC3)n12.
What is the InChIKey of 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ILIROAJJZQATOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-31-21-16-27-24(26)23-22(28-25(29(21)23)18-12-14-30-15-13-18)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-11,16,18H,2,12-15H2,1H3,(H2,26,27).
What are the key properties of 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 430.51 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(oxan-4-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 154658367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).