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

C28H28N6 — CID 11690914

IUPAC3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C28H28N6/c1-33(2)17-18-14-22(15-18)28-32-25(26-27(29)30-12-13-34(26)28)21-9-8-20-10-11-23(31-24(20)16-21)19-6-4-3-5-7-19/h3-13,16,18,22H,14-15,17H2,1-2H3,(H2,29,30)
InChIKeyFSYHSNLAYZLREB-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.25
Rot. Bonds5

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

3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 11690914) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID11690914
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN(C)CC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C28H28N6/c1-33(2)17-18-14-22(15-18)28-32-25(26-27(29)30-12-13-34(26)28)21-9-8-20-10-11-23(31-24(20)16-21)19-6-4-3-5-7-19/h3-13,16,18,22H,14-15,17H2,1-2H3,(H2,29,30)
InChIKeyFSYHSNLAYZLREB-UHFFFAOYSA-N
XLogP5.25
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 11690914) is 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CN(C)CC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is FSYHSNLAYZLREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-33(2)17-18-14-22(15-18)28-32-25(26-27(29)30-12-13-34(26)28)21-9-8-20-10-11-23(31-24(20)16-21)19-6-4-3-5-7-19/h3-13,16,18,22H,14-15,17H2,1-2H3,(H2,29,30).
What are the key properties of 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 448.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11690914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).