N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine

C23H23N4O+ — CID 70921913

IUPACN-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCc1ccccc1Oc1ccc(C2=NC=C[N+]3(NC4CCC4)C=NC=C23)cc1
InChIInChI=1S/C23H23N4O/c1-17-5-2-3-8-22(17)28-20-11-9-18(10-12-20)23-21-15-24-16-27(21,14-13-25-23)26-19-6-4-7-19/h2-3,5,8-16,19,26H,4,6-7H2,1H3/q+1
InChIKeyDSSMPJIOORRFLT-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.82
Rot. Bonds5

About N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine

N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 70921913) has the molecular formula C23H23N4O+ and a molecular weight of 371.46 g/mol. Its IUPAC name is N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID70921913
Molecular FormulaC23H23N4O+
Molecular Weight371.46 g/mol
Exact Mass371.19
IUPAC NameN-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCc1ccccc1Oc1ccc(C2=NC=C[N+]3(NC4CCC4)C=NC=C23)cc1
InChIInChI=1S/C23H23N4O/c1-17-5-2-3-8-22(17)28-20-11-9-18(10-12-20)23-21-15-24-16-27(21,14-13-25-23)26-19-6-4-7-19/h2-3,5,8-16,19,26H,4,6-7H2,1H3/q+1
InChIKeyDSSMPJIOORRFLT-UHFFFAOYSA-N
XLogP4.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-8-[4-(4-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 69083871
1-(Cyclobutadienyl)-3-[3-fluoro-4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202986
1-(Cyclobutadienyl)-3-[2-fluoro-4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87657141
N-[3-(4-fluoro-3-phenylmethoxyphenyl)cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91128992
1-[3-(Methoxymethyl)cyclobutyl]-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202930
1-Ethyl-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202933
1-[4-(Methylaminomethyl)cyclohexyl]-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202940
1-(3-Methylcyclobutyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202947
1-[3-[(Dimethylamino)methyl]cyclobutyl]-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202969
1-[3-(Aminomethyl)cyclobutyl]-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87203010
1-[4-(Aminomethyl)cyclohexyl]-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87203033
1-Tert-butyl-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87203072

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 70921913) is N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine is Cc1ccccc1Oc1ccc(C2=NC=C[N+]3(NC4CCC4)C=NC=C23)cc1.
What is the InChIKey of N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is DSSMPJIOORRFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4O/c1-17-5-2-3-8-22(17)28-20-11-9-18(10-12-20)23-21-15-24-16-27(21,14-13-25-23)26-19-6-4-7-19/h2-3,5,8-16,19,26H,4,6-7H2,1H3/q+1.
What are the key properties of N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 371.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-8-[4-(2-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 70921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).