N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

C25H21N4O2+ — CID 90693100

IUPACN-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccccc1N(c1ccc(Oc2ccccc2)cc1)[N+]12C=CN=CC1=CN=C2
InChIInChI=1S/C25H21N4O2/c1-30-25-10-6-5-9-24(25)28(29-16-15-26-17-21(29)18-27-19-29)20-11-13-23(14-12-20)31-22-7-3-2-4-8-22/h2-19H,1H3/q+1
InChIKeyZEFKBOKTZZEHIQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.80
Rot. Bonds6

About N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 90693100) has the molecular formula C25H21N4O2+ and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID90693100
Molecular FormulaC25H21N4O2+
Molecular Weight409.47 g/mol
Exact Mass409.17
IUPAC NameN-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccccc1N(c1ccc(Oc2ccccc2)cc1)[N+]12C=CN=CC1=CN=C2
InChIInChI=1S/C25H21N4O2/c1-30-25-10-6-5-9-24(25)28(29-16-15-26-17-21(29)18-27-19-29)20-11-13-23(14-12-20)31-22-7-3-2-4-8-22/h2-19H,1H3/q+1
InChIKeyZEFKBOKTZZEHIQ-UHFFFAOYSA-N
XLogP5.80
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91471356
N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91069222
N-cyclobutyl-N-(3-methoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90894557
N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
CID 69304821
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
1-(4-methoxyphenyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87657060
N-[3-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]-N-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 123318326
N-[3-[4-(3-phenylphenoxy)phenyl]cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91106678
4-[1-[imidazo[1,5-a]pyrazin-4-ium-4-yl-(2-phenylquinolin-7-yl)amino]cyclobutyl]morpholine-3-thiol
CID 123688947
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
6-[bis[6-(N-(2-methoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(2-methylphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(3-phenoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(3-phenoxyphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 158143943
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 90693100) is N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is COc1ccccc1N(c1ccc(Oc2ccccc2)cc1)[N+]12C=CN=CC1=CN=C2.
What is the InChIKey of N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is ZEFKBOKTZZEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N4O2/c1-30-25-10-6-5-9-24(25)28(29-16-15-26-17-21(29)18-27-19-29)20-11-13-23(14-12-20)31-22-7-3-2-4-8-22/h2-19H,1H3/q+1.
What are the key properties of N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 409.47 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 90693100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).