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

C25H26N4O3 — CID 44538698

IUPAC3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12
InChIInChI=1S/C25H26N4O3/c1-3-31-20-13-18(32-17-7-5-4-6-8-17)9-10-19(20)21-22-23(26)27-11-12-29(22)24(28-21)16-14-25(2,30)15-16/h4-13,16,30H,3,14-15H2,1-2H3,(H2,26,27)
InChIKeyCZISQKOQGSAPPU-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.80
Rot. Bonds6

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

3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 44538698) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID44538698
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12
InChIInChI=1S/C25H26N4O3/c1-3-31-20-13-18(32-17-7-5-4-6-8-17)9-10-19(20)21-22-23(26)27-11-12-29(22)24(28-21)16-14-25(2,30)15-16/h4-13,16,30H,3,14-15H2,1-2H3,(H2,26,27)
InChIKeyCZISQKOQGSAPPU-UHFFFAOYSA-N
XLogP4.80
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.80
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-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 44538698) is 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ccnc(N)c12.
What is the InChIKey of 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is CZISQKOQGSAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-31-20-13-18(32-17-7-5-4-6-8-17)9-10-19(20)21-22-23(26)27-11-12-29(22)24(28-21)16-14-25(2,30)15-16/h4-13,16,30H,3,14-15H2,1-2H3,(H2,26,27).
What are the key properties of 3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 430.51 g/mol, XLogP of 4.80, 6 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-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 44538698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).