4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide

C25H19N5O2 — CID 44538899

IUPAC4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1
InChIInChI=1S/C25H19N5O2/c26-23-22-21(16-10-12-20(13-11-16)32-19-4-2-1-3-5-19)29-25(30(22)15-14-28-23)18-8-6-17(7-9-18)24(27)31/h1-15H,(H2,26,28)(H2,27,31)
InChIKeyZVVSRYLEVQPEIC-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.54
Rot. Bonds5

About 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide

4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 44538899) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide
PubChem CID44538899
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1
InChIInChI=1S/C25H19N5O2/c26-23-22-21(16-10-12-20(13-11-16)32-19-4-2-1-3-5-19)29-25(30(22)15-14-28-23)18-8-6-17(7-9-18)24(27)31/h1-15H,(H2,26,28)(H2,27,31)
InChIKeyZVVSRYLEVQPEIC-UHFFFAOYSA-N
XLogP4.54
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide?
The IUPAC name of 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide (CID 44538899) is 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide is NC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cc1.
What is the InChIKey of 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide?
The InChIKey is ZVVSRYLEVQPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c26-23-22-21(16-10-12-20(13-11-16)32-19-4-2-1-3-5-19)29-25(30(22)15-14-28-23)18-8-6-17(7-9-18)24(27)31/h1-15H,(H2,26,28)(H2,27,31).
What are the key properties of 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide?
4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 44538899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).