3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine

C23H22N6O2 — CID 90875799

IUPAC3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCN4C=c5cnoc5=CC4)c3)c12
InChIInChI=1S/C23H22N6O2/c24-22-21-20(27-23(15-3-1-4-15)29(21)10-8-25-22)16-5-2-6-18(11-16)30-14-28-9-7-19-17(13-28)12-26-31-19/h2,5-8,10-13,15H,1,3-4,9,14H2,(H2,24,25)
InChIKeyIKOQAEULUOSPFI-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.10
Rot. Bonds5

About 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 90875799) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID90875799
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCN4C=c5cnoc5=CC4)c3)c12
InChIInChI=1S/C23H22N6O2/c24-22-21-20(27-23(15-3-1-4-15)29(21)10-8-25-22)16-5-2-6-18(11-16)30-14-28-9-7-19-17(13-28)12-26-31-19/h2,5-8,10-13,15H,1,3-4,9,14H2,(H2,24,25)
InChIKeyIKOQAEULUOSPFI-UHFFFAOYSA-N
XLogP2.10
TPSA94.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 90875799) is 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCN4C=c5cnoc5=CC4)c3)c12.
What is the InChIKey of 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is IKOQAEULUOSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-22-21-20(27-23(15-3-1-4-15)29(21)10-8-25-22)16-5-2-6-18(11-16)30-14-28-9-7-19-17(13-28)12-26-31-19/h2,5-8,10-13,15H,1,3-4,9,14H2,(H2,24,25).
What are the key properties of 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 414.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[3-(6H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 90875799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).