4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide

C25H25N5O3 — CID 126673321

IUPAC4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1
InChIInChI=1S/C25H25N5O3/c1-29(2)11-3-10-26-25(31)18-6-4-17(5-7-18)20-15-30-21(13-28-24(30)14-27-20)19-8-9-22-23(12-19)33-16-32-22/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,26,31)
InChIKeyCSZJILFABDOBLK-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.47
Rot. Bonds7

About 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide

4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 126673321) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide
PubChem CID126673321
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1
InChIInChI=1S/C25H25N5O3/c1-29(2)11-3-10-26-25(31)18-6-4-17(5-7-18)20-15-30-21(13-28-24(30)14-27-20)19-8-9-22-23(12-19)33-16-32-22/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,26,31)
InChIKeyCSZJILFABDOBLK-UHFFFAOYSA-N
XLogP3.47
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide (CID 126673321) is 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)cc1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is CSZJILFABDOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-29(2)11-3-10-26-25(31)18-6-4-17(5-7-18)20-15-30-21(13-28-24(30)14-27-20)19-8-9-22-23(12-19)33-16-32-22/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,26,31).
What are the key properties of 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide?
4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 443.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 126673321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).