1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

C23H21BrN4O — CID 59852808

IUPAC1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(Br)c4)c3)c12
InChIInChI=1S/C23H21BrN4O/c24-18-8-1-4-15(12-18)14-29-19-9-3-7-17(13-19)20-21-22(25)26-10-11-28(21)23(27-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)
InChIKeyIFLITFBLGRPFIB-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.59
Rot. Bonds5

About 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine

1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 59852808) has the molecular formula C23H21BrN4O and a molecular weight of 449.35 g/mol. Its IUPAC name is 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
PubChem CID59852808
Molecular FormulaC23H21BrN4O
Molecular Weight449.35 g/mol
Exact Mass448.09
IUPAC Name1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(Br)c4)c3)c12
InChIInChI=1S/C23H21BrN4O/c24-18-8-1-4-15(12-18)14-29-19-9-3-7-17(13-19)20-21-22(25)26-10-11-28(21)23(27-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)
InChIKeyIFLITFBLGRPFIB-UHFFFAOYSA-N
XLogP5.59
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416841
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide
CID 11477632
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide
CID 11156524
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945
2-[2-[[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]methyl]isoindol-1-yl]-2-oxoacetaldehyde
CID 174621237
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
3-[3-(2,5-dihydropyrrol-1-ylmethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417957

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine (CID 59852808) is 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(Br)c4)c3)c12.
What is the InChIKey of 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is IFLITFBLGRPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O/c24-18-8-1-4-15(12-18)14-29-19-9-3-7-17(13-19)20-21-22(25)26-10-11-28(21)23(27-20)16-5-2-6-16/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26).
What are the key properties of 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine?
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 449.35 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 59852808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).