6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C21H19ClN4O — CID 10362311

IUPAC6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccccc1CNc1nc(-c2ccc(CCl)cc2)cn2ccnc12
InChIInChI=1S/C21H19ClN4O/c1-27-19-5-3-2-4-17(19)13-24-20-21-23-10-11-26(21)14-18(25-20)16-8-6-15(12-22)7-9-16/h2-11,14H,12-13H2,1H3,(H,24,25)
InChIKeyCERJUTXXLLWAEQ-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.76
Rot. Bonds6

About 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 10362311) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID10362311
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccccc1CNc1nc(-c2ccc(CCl)cc2)cn2ccnc12
InChIInChI=1S/C21H19ClN4O/c1-27-19-5-3-2-4-17(19)13-24-20-21-23-10-11-26(21)14-18(25-20)16-8-6-15(12-22)7-9-16/h2-11,14H,12-13H2,1H3,(H,24,25)
InChIKeyCERJUTXXLLWAEQ-UHFFFAOYSA-N
XLogP4.76
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 10434647
N-[(2-methoxyphenyl)methyl]-6-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 10002350
6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 59263750
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473196
2-chloro-N-[(4-imidazo[1,2-a]pyrazin-8-ylphenyl)methyl]-5-methoxypyrimidin-4-amine
CID 170316954
8-N-[(6-methoxy-3-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80831802
1-(2,4-dimethoxy-5-methylphenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
CID 143051038
N-cyclopropyl-4-[8-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975704
N-[(2-chlorophenyl)methyl]-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80932131
N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 67975883
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
8-N-[(4-ethylphenyl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 106900929

Frequently Asked Questions

What is the IUPAC name of 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 10362311) is 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is COc1ccccc1CNc1nc(-c2ccc(CCl)cc2)cn2ccnc12.
What is the InChIKey of 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CERJUTXXLLWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-27-19-5-3-2-4-17(19)13-24-20-21-23-10-11-26(21)14-18(25-20)16-8-6-15(12-22)7-9-16/h2-11,14H,12-13H2,1H3,(H,24,25).
What are the key properties of 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 378.86 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(chloromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 10362311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).