3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one

C25H18N4O — CID 87593436

IUPAC3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cnccn23)C1
InChIInChI=1S/C25H18N4O/c30-20-12-19(13-20)25-28-24(23-15-26-10-11-29(23)25)18-7-6-17-8-9-21(27-22(17)14-18)16-4-2-1-3-5-16/h1-11,14-15,19H,12-13H2
InChIKeyQAOYLLLFBUGNOZ-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.06
Rot. Bonds3

About 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one

3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one (PubChem CID 87593436) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
PubChem CID87593436
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cnccn23)C1
InChIInChI=1S/C25H18N4O/c30-20-12-19(13-20)25-28-24(23-15-26-10-11-29(23)25)18-7-6-17-8-9-21(27-22(17)14-18)16-4-2-1-3-5-16/h1-11,14-15,19H,12-13H2
InChIKeyQAOYLLLFBUGNOZ-UHFFFAOYSA-N
XLogP5.06
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
CID 68629592
7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 140509148
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143701228
3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 177076997
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
CID 143120577
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
CID 70905162
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The IUPAC name of 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one (CID 87593436) is 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one.
What is the SMILES notation for 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The canonical SMILES for 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one is O=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cnccn23)C1.
What is the InChIKey of 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The InChIKey is QAOYLLLFBUGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c30-20-12-19(13-20)25-28-24(23-15-26-10-11-29(23)25)18-7-6-17-8-9-21(27-22(17)14-18)16-4-2-1-3-5-16/h1-11,14-15,19H,12-13H2.
What are the key properties of 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one has a molecular weight of 390.45 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one is sourced from PubChem (CID 87593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).