3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine

C22H24N4O — CID 53345248

IUPAC3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc2c1
InChIInChI=1S/C22H24N4O/c1-5-27-17-9-8-14-12-16(7-6-15(14)13-17)18-19-20(23)24-10-11-26(19)21(25-18)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,24)
InChIKeySORJWXKYZACWJA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.83
Rot. Bonds3

About 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine

3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 53345248) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID53345248
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc2c1
InChIInChI=1S/C22H24N4O/c1-5-27-17-9-8-14-12-16(7-6-15(14)13-17)18-19-20(23)24-10-11-26(19)21(25-18)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,24)
InChIKeySORJWXKYZACWJA-UHFFFAOYSA-N
XLogP4.83
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 53345248) is 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine is CCOc1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc2c1.
What is the InChIKey of 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is SORJWXKYZACWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-27-17-9-8-14-12-16(7-6-15(14)13-17)18-19-20(23)24-10-11-26(19)21(25-18)22(2,3)4/h6-13H,5H2,1-4H3,(H2,23,24).
What are the key properties of 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 360.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(6-ethoxynaphthalen-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 53345248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).