3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C24H24N4O3 — CID 44539192

IUPAC3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12
InChIInChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)
InChIKeyPILAMBNAJPBLFA-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.41
Rot. Bonds5

About 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 44539192) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID44539192
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12
InChIInChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)
InChIKeyPILAMBNAJPBLFA-UHFFFAOYSA-N
XLogP4.41
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 44539192) is 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is COc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12.
What is the InChIKey of 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is PILAMBNAJPBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26).
What are the key properties of 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 416.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 44539192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).