3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C29H28N6 — CID 11583459

IUPAC3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31)
InChIKeyFUGZYLOFWXVFQU-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.39
Rot. Bonds5

About 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11583459) has the molecular formula C29H28N6 and a molecular weight of 460.59 g/mol. Its IUPAC name is 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11583459
Molecular FormulaC29H28N6
Molecular Weight460.59 g/mol
Exact Mass460.24
IUPAC Name3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31)
InChIKeyFUGZYLOFWXVFQU-UHFFFAOYSA-N
XLogP5.39
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 11583459) is 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is FUGZYLOFWXVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6/c30-28-27-26(22-8-7-21-9-10-24(32-25(21)17-22)20-5-2-1-3-6-20)33-29(35(27)14-11-31-28)23-15-19(16-23)18-34-12-4-13-34/h1-3,5-11,14,17,19,23H,4,12-13,15-16,18H2,(H2,30,31).
What are the key properties of 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 460.59 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azetidin-1-ylmethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).