4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde

C15H17ClIN5O — CID 163730469

IUPAC4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CC(c3nc(I)c4c(Cl)nccn34)C2)CC1
InChIInChI=1S/C15H17ClIN5O/c16-13-12-14(17)19-15(22(12)2-1-18-13)10-7-11(8-10)21-5-3-20(9-23)4-6-21/h1-2,9-11H,3-8H2
InChIKeyKZDBZEVUDUTLFN-UHFFFAOYSA-N
MW445.69 g/mol
LogP2.01
Rot. Bonds3

About 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde

4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde (PubChem CID 163730469) has the molecular formula C15H17ClIN5O and a molecular weight of 445.69 g/mol. Its IUPAC name is 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde
PubChem CID163730469
Molecular FormulaC15H17ClIN5O
Molecular Weight445.69 g/mol
Exact Mass445.02
IUPAC Name4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C2CC(c3nc(I)c4c(Cl)nccn34)C2)CC1
InChIInChI=1S/C15H17ClIN5O/c16-13-12-14(17)19-15(22(12)2-1-18-13)10-7-11(8-10)21-5-3-20(9-23)4-6-21/h1-2,9-11H,3-8H2
InChIKeyKZDBZEVUDUTLFN-UHFFFAOYSA-N
XLogP2.01
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-1-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazine;ethane
CID 143541254
[1-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]-2,2-dimethylpropoxy]-dimethylsilane
CID 154084227
1-[4-[3-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazin-1-yl]ethanone
CID 130348988
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
8-chloro-3-cyclohexyl-1-methylimidazo[1,5-a]pyrazine
CID 143744436
1-(1-benzyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-8-amine;4-cyclobutylpiperazine-1-carbaldehyde;1-(1-methyl-2-phenylbenzimidazol-5-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 159825330
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 66738299
1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
CID 175693251
(4aR,7R)-7-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
CID 90283041
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-(8-chloro-1-methylimidazo[1,5-a]pyrazin-3-yl)-1-(hydroxymethyl)cyclobutan-1-ol;ethane
CID 143744477

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde (CID 163730469) is 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde is O=CN1CCN(C2CC(c3nc(I)c4c(Cl)nccn34)C2)CC1.
What is the InChIKey of 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde?
The InChIKey is KZDBZEVUDUTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClIN5O/c16-13-12-14(17)19-15(22(12)2-1-18-13)10-7-11(8-10)21-5-3-20(9-23)4-6-21/h1-2,9-11H,3-8H2.
What are the key properties of 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde?
4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde has a molecular weight of 445.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclobutyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 163730469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).