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

C21H21N5O — CID 126472247

IUPAC5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2ncc(-c3cccc(CN)c3)n3ccnc23)cc1
InChIInChI=1S/C21H21N5O/c1-27-18-7-5-15(6-8-18)13-24-20-21-23-9-10-26(21)19(14-25-20)17-4-2-3-16(11-17)12-22/h2-11,14H,12-13,22H2,1H3,(H,24,25)
InChIKeyASIXFAQLWRIFQO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.48
Rot. Bonds6

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

5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472247) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472247
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2ncc(-c3cccc(CN)c3)n3ccnc23)cc1
InChIInChI=1S/C21H21N5O/c1-27-18-7-5-15(6-8-18)13-24-20-21-23-9-10-26(21)19(14-25-20)17-4-2-3-16(11-17)12-22/h2-11,14H,12-13,22H2,1H3,(H,24,25)
InChIKeyASIXFAQLWRIFQO-UHFFFAOYSA-N
XLogP3.48
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 126472247) is 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1ccc(CNc2ncc(-c3cccc(CN)c3)n3ccnc23)cc1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ASIXFAQLWRIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-27-18-7-5-15(6-8-18)13-24-20-21-23-9-10-26(21)19(14-25-20)17-4-2-3-16(11-17)12-22/h2-11,14H,12-13,22H2,1H3,(H,24,25).
What are the key properties of 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 359.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).