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

C24H25N5O2 — CID 137293670

IUPACN-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C24H25N5O2/c1-28(2)13-3-12-25-24(31)19-6-4-17(5-7-19)21-16-29-22(14-27-23(29)15-26-21)18-8-10-20(30)11-9-18/h4-11,14-16,30H,3,12-13H2,1-2H3,(H,25,31)
InChIKeyGGLNVRDQZCANGF-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.45
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 137293670) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID137293670
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1
InChIInChI=1S/C24H25N5O2/c1-28(2)13-3-12-25-24(31)19-6-4-17(5-7-19)21-16-29-22(14-27-23(29)15-26-21)18-8-10-20(30)11-9-18/h4-11,14-16,30H,3,12-13H2,1-2H3,(H,25,31)
InChIKeyGGLNVRDQZCANGF-UHFFFAOYSA-N
XLogP3.45
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 137293670) is N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is GGLNVRDQZCANGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(2)13-3-12-25-24(31)19-6-4-17(5-7-19)21-16-29-22(14-27-23(29)15-26-21)18-8-10-20(30)11-9-18/h4-11,14-16,30H,3,12-13H2,1-2H3,(H,25,31).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 137293670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).