3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid

C24H22N4O3 — CID 11418548

IUPAC3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(=O)O)c4)c3)c12
InChIInChI=1S/C24H22N4O3/c25-22-21-20(27-23(16-5-2-6-16)28(21)11-10-26-22)17-7-3-9-19(13-17)31-14-15-4-1-8-18(12-15)24(29)30/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)(H,29,30)
InChIKeyGJZHLRYDAOGUJL-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.52
Rot. Bonds6

About 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid

3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid (PubChem CID 11418548) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
PubChem CID11418548
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(=O)O)c4)c3)c12
InChIInChI=1S/C24H22N4O3/c25-22-21-20(27-23(16-5-2-6-16)28(21)11-10-26-22)17-7-3-9-19(13-17)31-14-15-4-1-8-18(12-15)24(29)30/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)(H,29,30)
InChIKeyGJZHLRYDAOGUJL-UHFFFAOYSA-N
XLogP4.52
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
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
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
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-pyridin-2-ylacetamide
CID 11477632
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
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
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 67415833
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid?
The IUPAC name of 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid (CID 11418548) is 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid?
The canonical SMILES for 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(C(=O)O)c4)c3)c12.
What is the InChIKey of 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid?
The InChIKey is GJZHLRYDAOGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c25-22-21-20(27-23(16-5-2-6-16)28(21)11-10-26-22)17-7-3-9-19(13-17)31-14-15-4-1-8-18(12-15)24(29)30/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)(H,29,30).
What are the key properties of 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid?
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid has a molecular weight of 414.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 11418548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).