3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one

C23H18ClN3O2 — CID 59852819

IUPAC3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)C1
InChIInChI=1S/C23H18ClN3O2/c24-22-21-20(26-23(17-11-18(28)12-17)27(21)10-9-25-22)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2
InChIKeyRZMULMUNIRWHIO-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.08
Rot. Bonds5

About 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one

3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one (PubChem CID 59852819) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
PubChem CID59852819
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)C1
InChIInChI=1S/C23H18ClN3O2/c24-22-21-20(26-23(17-11-18(28)12-17)27(21)10-9-25-22)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2
InChIKeyRZMULMUNIRWHIO-UHFFFAOYSA-N
XLogP5.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
[3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl] ethaneperoxoate
CID 87391185
8-chloro-3-methylsulfanyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 58902022
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67415806
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861
3-[3-(2,5-dihydropyrrol-1-ylmethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417957
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The IUPAC name of 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one (CID 59852819) is 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one.
What is the SMILES notation for 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The canonical SMILES for 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one is O=C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(Cl)nccn23)C1.
What is the InChIKey of 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
The InChIKey is RZMULMUNIRWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-22-21-20(26-23(17-11-18(28)12-17)27(21)10-9-25-22)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-10,13,17H,11-12,14H2.
What are the key properties of 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one?
3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one has a molecular weight of 403.87 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one is sourced from PubChem (CID 59852819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).