1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine

C21H24ClN3O2 — CID 88907381

IUPAC1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
SMILESCCCCOc1cc(-c2nc(C3CCC3)n3ccnc(Cl)c23)ccc1OC
InChIInChI=1S/C21H24ClN3O2/c1-3-4-12-27-17-13-15(8-9-16(17)26-2)18-19-20(22)23-10-11-25(19)21(24-18)14-6-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyRXGDLROCLWIXRC-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.50
Rot. Bonds7

About 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine

1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine (PubChem CID 88907381) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
PubChem CID88907381
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
SMILESCCCCOc1cc(-c2nc(C3CCC3)n3ccnc(Cl)c23)ccc1OC
InChIInChI=1S/C21H24ClN3O2/c1-3-4-12-27-17-13-15(8-9-16(17)26-2)18-19-20(22)23-10-11-25(19)21(24-18)14-6-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyRXGDLROCLWIXRC-UHFFFAOYSA-N
XLogP5.50
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine
CID 89168130
8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763
8-chloro-3-cyclohexyl-1-methylimidazo[1,5-a]pyrazine
CID 143744436
[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
CID 160789177
3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 70992941
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 59852819
3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67415806
2-cyclopropyl-4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483620

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine (CID 88907381) is 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine is CCCCOc1cc(-c2nc(C3CCC3)n3ccnc(Cl)c23)ccc1OC.
What is the InChIKey of 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine?
The InChIKey is RXGDLROCLWIXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-4-12-27-17-13-15(8-9-16(17)26-2)18-19-20(22)23-10-11-25(19)21(24-18)14-6-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3.
What are the key properties of 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine?
1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine has a molecular weight of 385.90 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 88907381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).