3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

C24H24N4O — CID 174621229

IUPAC3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(COc2cccc(-c3nc(C4CCC4)n4ccnc(N)c34)c2)c1
InChIInChI=1S/C24H24N4O/c1-16-5-2-6-17(13-16)15-29-20-10-4-9-19(14-20)21-22-23(25)26-11-12-28(22)24(27-21)18-7-3-8-18/h2,4-6,9-14,18H,3,7-8,15H2,1H3,(H2,25,26)
InChIKeySRJLIVRTDKYXJT-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.13
Rot. Bonds5

About 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 174621229) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID174621229
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1cccc(COc2cccc(-c3nc(C4CCC4)n4ccnc(N)c34)c2)c1
InChIInChI=1S/C24H24N4O/c1-16-5-2-6-17(13-16)15-29-20-10-4-9-19(14-20)21-22-23(25)26-11-12-28(22)24(27-21)18-7-3-8-18/h2,4-6,9-14,18H,3,7-8,15H2,1H3,(H2,25,26)
InChIKeySRJLIVRTDKYXJT-UHFFFAOYSA-N
XLogP5.13
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 174621229) is 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1cccc(COc2cccc(-c3nc(C4CCC4)n4ccnc(N)c34)c2)c1.
What is the InChIKey of 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is SRJLIVRTDKYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-5-2-6-17(13-16)15-29-20-10-4-9-19(14-20)21-22-23(25)26-11-12-28(22)24(27-21)18-7-3-8-18/h2,4-6,9-14,18H,3,7-8,15H2,1H3,(H2,25,26).
What are the key properties of 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 384.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 174621229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).