4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide

C23H22N6O2 — CID 24856513

IUPAC4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
InChIKeyLNHQAMAJAAXSDC-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.08
Rot. Bonds5

About 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide

4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide (PubChem CID 24856513) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide.

Molecular Properties

Compound Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
PubChem CID24856513
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
InChIInChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27)
InChIKeyLNHQAMAJAAXSDC-UHFFFAOYSA-N
XLogP3.08
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The IUPAC name of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide (CID 24856513) is 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide.
What is the SMILES notation for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The canonical SMILES for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1.
What is the InChIKey of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
The InChIKey is LNHQAMAJAAXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-21(30)17-3-1-16(2-4-17)20-15-26-22(23-25-9-10-29(20)23)27-18-5-7-19(8-6-18)28-11-13-31-14-12-28/h1-10,15H,11-14H2,(H2,24,30)(H,26,27).
What are the key properties of 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide?
4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide is sourced from PubChem (CID 24856513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).