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

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
5-[2-(dimethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475211
N-(pyridin-4-ylmethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126475682
3-[8-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-a]pyrazin-5-yl]phenol
CID 126472154
N-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241898
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930
3-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241678
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472407
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
[3-(8-methoxyimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 163309525

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).