1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine

C26H22ClN3O — CID 89168130

IUPAC1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine
SMILESCCCCOc1cccc(-c2nc(-c3ccc4ccccc4c3)n3ccnc(Cl)c23)c1
InChIInChI=1S/C26H22ClN3O/c1-2-3-15-31-22-10-6-9-20(17-22)23-24-25(27)28-13-14-30(24)26(29-23)21-12-11-18-7-4-5-8-19(18)16-21/h4-14,16-17H,2-3,15H2,1H3
InChIKeyTYRCLHWGGWAZRP-UHFFFAOYSA-N
MW427.94 g/mol
LogP7.05
Rot. Bonds6

About 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine

1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine (PubChem CID 89168130) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine
PubChem CID89168130
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine
SMILESCCCCOc1cccc(-c2nc(-c3ccc4ccccc4c3)n3ccnc(Cl)c23)c1
InChIInChI=1S/C26H22ClN3O/c1-2-3-15-31-22-10-6-9-20(17-22)23-24-25(27)28-13-14-30(24)26(29-23)21-12-11-18-7-4-5-8-19(18)16-21/h4-14,16-17H,2-3,15H2,1H3
InChIKeyTYRCLHWGGWAZRP-UHFFFAOYSA-N
XLogP7.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine (CID 89168130) is 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine is CCCCOc1cccc(-c2nc(-c3ccc4ccccc4c3)n3ccnc(Cl)c23)c1.
What is the InChIKey of 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine?
The InChIKey is TYRCLHWGGWAZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c1-2-3-15-31-22-10-6-9-20(17-22)23-24-25(27)28-13-14-30(24)26(29-23)21-12-11-18-7-4-5-8-19(18)16-21/h4-14,16-17H,2-3,15H2,1H3.
What are the key properties of 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine?
1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine has a molecular weight of 427.94 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxyphenyl)-8-chloro-3-naphthalen-2-ylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 89168130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).