1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

C25H21N4O2+ — CID 87657060

IUPAC1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccc(C2=C3C=NC=C[N+]3(N)C(c3ccc(Oc4ccccc4)cc3)=N2)cc1
InChIInChI=1S/C25H21N4O2/c1-30-20-11-7-18(8-12-20)24-23-17-27-15-16-29(23,26)25(28-24)19-9-13-22(14-10-19)31-21-5-3-2-4-6-21/h2-17H,26H2,1H3/q+1
InChIKeyOGCSCJBPTIZVHK-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.86
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 87657060) has the molecular formula C25H21N4O2+ and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID87657060
Molecular FormulaC25H21N4O2+
Molecular Weight409.47 g/mol
Exact Mass409.17
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccc(C2=C3C=NC=C[N+]3(N)C(c3ccc(Oc4ccccc4)cc3)=N2)cc1
InChIInChI=1S/C25H21N4O2/c1-30-20-11-7-18(8-12-20)24-23-17-27-15-16-29(23,26)25(28-24)19-9-13-22(14-10-19)31-21-5-3-2-4-6-21/h2-17H,26H2,1H3/q+1
InChIKeyOGCSCJBPTIZVHK-UHFFFAOYSA-N
XLogP4.86
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylcyclobutyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202947
3-[4-amino-3-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-methylcyclobutan-1-ol
CID 87203022
3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87102449
2-[3-[4-amino-1-(cyclobutadienyl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenoxy]ethanol
CID 87391315
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90693100
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
iron;phenoxybenzene
CID 174434720
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-[2-(aminomethyl)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87591718

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 87657060) is 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is COc1ccc(C2=C3C=NC=C[N+]3(N)C(c3ccc(Oc4ccccc4)cc3)=N2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is OGCSCJBPTIZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N4O2/c1-30-20-11-7-18(8-12-20)24-23-17-27-15-16-29(23,26)25(28-24)19-9-13-22(14-10-19)31-21-5-3-2-4-6-21/h2-17H,26H2,1H3/q+1.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 409.47 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 87657060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).