3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C24H19N5O — CID 44538701

IUPAC3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1
InChIInChI=1S/C24H19N5O/c25-18-10-6-17(7-11-18)24-28-21(22-23(26)27-14-15-29(22)24)16-8-12-20(13-9-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,27)
InChIKeyQYYWGDLGHXWXKJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.02
Rot. Bonds4

About 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 44538701) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID44538701
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1
InChIInChI=1S/C24H19N5O/c25-18-10-6-17(7-11-18)24-28-21(22-23(26)27-14-15-29(22)24)16-8-12-20(13-9-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,27)
InChIKeyQYYWGDLGHXWXKJ-UHFFFAOYSA-N
XLogP5.02
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-3-yl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538803
3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538805
3-(4-amino-1-bicyclo[2.2.1]heptanyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 146530325
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
tert-butyl 4-[4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 44538896
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
1-[(1R,2S,5S)-2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]but-2-yn-1-one
CID 146177142
1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one
CID 146177025
6-cyclopentyl-8-(4-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine
CID 21036872
4-phenoxyaniline
CID 158390066

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 44538701) is 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is Nc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is QYYWGDLGHXWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-18-10-6-17(7-11-18)24-28-21(22-23(26)27-14-15-29(22)24)16-8-12-20(13-9-16)30-19-4-2-1-3-5-19/h1-15H,25H2,(H2,26,27).
What are the key properties of 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 393.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 44538701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).