3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C28H27N5O2 — CID 71762924

IUPAC3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)
InChIKeyAOBDOSZBHBHLNE-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.22
Rot. Bonds5

About 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 71762924) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID71762924
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)
InChIKeyAOBDOSZBHBHLNE-UHFFFAOYSA-N
XLogP5.22
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.22
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-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 71762924) is 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is AOBDOSZBHBHLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30).
What are the key properties of 3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 465.56 g/mol, XLogP of 5.22, 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-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 71762924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).