1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone

C16H21IN6O — CID 90751764

IUPAC1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(c3ncc4c(N)nc(I)cn34)C2)CC1
InChIInChI=1S/C16H21IN6O/c1-10(24)21-2-4-22(5-3-21)12-6-11(7-12)16-19-8-13-15(18)20-14(17)9-23(13)16/h8-9,11-12H,2-7H2,1H3,(H2,18,20)
InChIKeyJNOPHCHOMDFXFS-UHFFFAOYSA-N
MW440.29 g/mol
LogP1.33
Rot. Bonds2

About 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone

1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone (PubChem CID 90751764) has the molecular formula C16H21IN6O and a molecular weight of 440.29 g/mol. Its IUPAC name is 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
PubChem CID90751764
Molecular FormulaC16H21IN6O
Molecular Weight440.29 g/mol
Exact Mass440.08
IUPAC Name1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(c3ncc4c(N)nc(I)cn34)C2)CC1
InChIInChI=1S/C16H21IN6O/c1-10(24)21-2-4-22(5-3-21)12-6-11(7-12)16-19-8-13-15(18)20-14(17)9-23(13)16/h8-9,11-12H,2-7H2,1H3,(H2,18,20)
InChIKeyJNOPHCHOMDFXFS-UHFFFAOYSA-N
XLogP1.33
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 130348988
1-[4-[3-(4-amino-3-iodoimidazo[1,5-a]pyrazin-4-ium-1-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 66676532
3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;1-[4-[3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;1-[4-[3-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 158563657
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1-[4-[(1S,3R)-3-aminocyclohexyl]piperazin-1-yl]ethanone
CID 169448440
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110254201
1-[4-[3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 159863796
1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254645
1-[4-[4-[(4-amino-5-methylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 141476497
4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]-N,N-dimethylpiperazine-1-carboxamide;(3R)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;(3S)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol
CID 161145921
1-(3-cyclopropylimidazo[1,5-a]pyridin-6-yl)propan-2-one
CID 83835502
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone (CID 90751764) is 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CC(c3ncc4c(N)nc(I)cn34)C2)CC1.
What is the InChIKey of 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone?
The InChIKey is JNOPHCHOMDFXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN6O/c1-10(24)21-2-4-22(5-3-21)12-6-11(7-12)16-19-8-13-15(18)20-14(17)9-23(13)16/h8-9,11-12H,2-7H2,1H3,(H2,18,20).
What are the key properties of 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone?
1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone has a molecular weight of 440.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(8-amino-6-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90751764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).