3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C38H38N6 — CID 143495250

IUPAC3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCN(CC/C=C/c1ccccc1)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C38H38N6/c1-2-21-43(22-10-9-13-27-11-5-3-6-12-27)32-24-31(25-32)38-42-35(36-37(39)40-20-23-44(36)38)30-17-16-29-18-19-33(41-34(29)26-30)28-14-7-4-8-15-28/h3-9,11-20,23,26,31-32H,2,10,21-22,24-25H2,1H3,(H2,39,40)/b13-9+
InChIKeyOWKOUBPKPHAACY-UKTHLTGXSA-N
MW578.76 g/mol
LogP8.26
Rot. Bonds10

About 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 143495250) has the molecular formula C38H38N6 and a molecular weight of 578.76 g/mol. Its IUPAC name is 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID143495250
Molecular FormulaC38H38N6
Molecular Weight578.76 g/mol
Exact Mass578.32
IUPAC Name3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCN(CC/C=C/c1ccccc1)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C38H38N6/c1-2-21-43(22-10-9-13-27-11-5-3-6-12-27)32-24-31(25-32)38-42-35(36-37(39)40-20-23-44(36)38)30-17-16-29-18-19-33(41-34(29)26-30)28-14-7-4-8-15-28/h3-9,11-20,23,26,31-32H,2,10,21-22,24-25H2,1H3,(H2,39,40)/b13-9+
InChIKeyOWKOUBPKPHAACY-UKTHLTGXSA-N
XLogP8.26
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495280
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[3-(diethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-ethylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 160638646
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-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
CID 143120577
tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
CID 143495307
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-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 143495250) is 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CCCN(CC/C=C/c1ccccc1)C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is OWKOUBPKPHAACY-UKTHLTGXSA-N. The full InChI is InChI=1S/C38H38N6/c1-2-21-43(22-10-9-13-27-11-5-3-6-12-27)32-24-31(25-32)38-42-35(36-37(39)40-20-23-44(36)38)30-17-16-29-18-19-33(41-34(29)26-30)28-14-7-4-8-15-28/h3-9,11-20,23,26,31-32H,2,10,21-22,24-25H2,1H3,(H2,39,40)/b13-9+.
What are the key properties of 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 578.76 g/mol, XLogP of 8.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(E)-4-phenylbut-3-enyl]-propylamino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 143495250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).