3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol

C28H26N6O — CID 70905162

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)(N4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C28H26N6O/c29-26-25-24(20-8-7-19-9-10-22(31-23(19)15-20)18-5-2-1-3-6-18)32-27(34(25)14-11-30-26)21-16-28(35,17-21)33-12-4-13-33/h1-3,5-11,14-15,21,35H,4,12-13,16-17H2,(H2,29,30)
InChIKeyQFRAEVNVKIICHX-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.47
Rot. Bonds4

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

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol (PubChem CID 70905162) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
PubChem CID70905162
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)(N4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C28H26N6O/c29-26-25-24(20-8-7-19-9-10-22(31-23(19)15-20)18-5-2-1-3-6-18)32-27(34(25)14-11-30-26)21-16-28(35,17-21)33-12-4-13-33/h1-3,5-11,14-15,21,35H,4,12-13,16-17H2,(H2,29,30)
InChIKeyQFRAEVNVKIICHX-UHFFFAOYSA-N
XLogP4.47
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.47
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-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol (CID 70905162) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol is Nc1nccn2c(C3CC(O)(N4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol?
The InChIKey is QFRAEVNVKIICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c29-26-25-24(20-8-7-19-9-10-22(31-23(19)15-20)18-5-2-1-3-6-18)32-27(34(25)14-11-30-26)21-16-28(35,17-21)33-12-4-13-33/h1-3,5-11,14-15,21,35H,4,12-13,16-17H2,(H2,29,30).
What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol?
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol has a molecular weight of 462.56 g/mol, XLogP of 4.47, 4 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-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 70905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).