3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C21H27N5O — CID 70992941

IUPAC3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCCOc1cccc(-c2nc(C3CC(CN)C3)n3ccnc(N)c23)c1
InChIInChI=1S/C21H27N5O/c1-2-3-9-27-17-6-4-5-15(12-17)18-19-20(23)24-7-8-26(19)21(25-18)16-10-14(11-16)13-22/h4-8,12,14,16H,2-3,9-11,13,22H2,1H3,(H2,23,24)
InChIKeyULSISSIUXZYFJQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.61
Rot. Bonds7

About 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 70992941) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID70992941
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCCCCOc1cccc(-c2nc(C3CC(CN)C3)n3ccnc(N)c23)c1
InChIInChI=1S/C21H27N5O/c1-2-3-9-27-17-6-4-5-15(12-17)18-19-20(23)24-7-8-26(19)21(25-18)16-10-14(11-16)13-22/h4-8,12,14,16H,2-3,9-11,13,22H2,1H3,(H2,23,24)
InChIKeyULSISSIUXZYFJQ-UHFFFAOYSA-N
XLogP3.61
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 70992941) is 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is CCCCOc1cccc(-c2nc(C3CC(CN)C3)n3ccnc(N)c23)c1.
What is the InChIKey of 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ULSISSIUXZYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-2-3-9-27-17-6-4-5-15(12-17)18-19-20(23)24-7-8-26(19)21(25-18)16-10-14(11-16)13-22/h4-8,12,14,16H,2-3,9-11,13,22H2,1H3,(H2,23,24).
What are the key properties of 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 365.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)cyclobutyl]-1-(3-butoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 70992941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).