1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane

C20H22N4S — CID 143469317

IUPAC1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
SMILESCC.Nc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H16N4S.C2H6/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17;1-2/h1-2,4,7-11H,3,5-6H2,(H2,19,20);1-2H3
InChIKeyYCWSXRYUAQEGMM-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.49
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane

1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane (PubChem CID 143469317) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
PubChem CID143469317
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
SMILESCC.Nc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H16N4S.C2H6/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17;1-2/h1-2,4,7-11H,3,5-6H2,(H2,19,20);1-2H3
InChIKeyYCWSXRYUAQEGMM-UHFFFAOYSA-N
XLogP5.49
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59133144
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 143899191
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
1-[5-[(Z)-but-2-en-2-yl]-4-ethynyl-1H-pyrrol-2-yl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 143469271
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine
CID 68711191
3-cyclobutyl-1-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 66915521
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
1-[3-amino-4-(N-benzyl-C-methylcarbonimidoyl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 130348820
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane (CID 143469317) is 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane is CC.Nc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane?
The InChIKey is YCWSXRYUAQEGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S.C2H6/c19-17-16-15(14-10-12-4-1-2-7-13(12)23-14)21-18(11-5-3-6-11)22(16)9-8-20-17;1-2/h1-2,4,7-11H,3,5-6H2,(H2,19,20);1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane?
1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane has a molecular weight of 350.49 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane is sourced from PubChem (CID 143469317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).