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

C18H16N4S — CID 54587313

IUPAC1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H16N4S/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/h1-2,4,7-11H,3,5-6H2,(H2,19,20)
InChIKeyLQZZHQUOTKKDLP-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.46
Rot. Bonds2

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

1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 54587313) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID54587313
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H16N4S/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/h1-2,4,7-11H,3,5-6H2,(H2,19,20)
InChIKeyLQZZHQUOTKKDLP-UHFFFAOYSA-N
XLogP4.46
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 54587313) is 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LQZZHQUOTKKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/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/h1-2,4,7-11H,3,5-6H2,(H2,19,20).
What are the key properties of 1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 320.42 g/mol, XLogP of 4.46, 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 is sourced from PubChem (CID 54587313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).