5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C24H27N5O3 — CID 126474524

IUPAC5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2ncc(-c3ccccc3N(C)C)n3ccnc23)cc(OC)c1OC
InChIInChI=1S/C24H27N5O3/c1-28(2)18-9-7-6-8-17(18)19-15-27-23(24-25-10-11-29(19)24)26-14-16-12-20(30-3)22(32-5)21(13-16)31-4/h6-13,15H,14H2,1-5H3,(H,26,27)
InChIKeyHTKDOVYEKQAAGL-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.10
Rot. Bonds8

About 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126474524) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126474524
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(CNc2ncc(-c3ccccc3N(C)C)n3ccnc23)cc(OC)c1OC
InChIInChI=1S/C24H27N5O3/c1-28(2)18-9-7-6-8-17(18)19-15-27-23(24-25-10-11-29(19)24)26-14-16-12-20(30-3)22(32-5)21(13-16)31-4/h6-13,15H,14H2,1-5H3,(H,26,27)
InChIKeyHTKDOVYEKQAAGL-UHFFFAOYSA-N
XLogP4.10
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126474524) is 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(CNc2ncc(-c3ccccc3N(C)C)n3ccnc23)cc(OC)c1OC.
What is the InChIKey of 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HTKDOVYEKQAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-28(2)18-9-7-6-8-17(18)19-15-27-23(24-25-10-11-29(19)24)26-14-16-12-20(30-3)22(32-5)21(13-16)31-4/h6-13,15H,14H2,1-5H3,(H,26,27).
What are the key properties of 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 433.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126474524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).