3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

C26H27N3O2 — CID 141117028

IUPAC3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCOC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3cnccn23)CC1
InChIInChI=1S/C26H27N3O2/c1-30-22-12-10-20(11-13-22)26-28-25(24-17-27-14-15-29(24)26)21-8-5-9-23(16-21)31-18-19-6-3-2-4-7-19/h2-9,14-17,20,22H,10-13,18H2,1H3
InChIKeyZBZJPFDRPPLKCC-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.65
Rot. Bonds6

About 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine

3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (PubChem CID 141117028) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
PubChem CID141117028
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
SMILESCOC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3cnccn23)CC1
InChIInChI=1S/C26H27N3O2/c1-30-22-12-10-20(11-13-22)26-28-25(24-17-27-14-15-29(24)26)21-8-5-9-23(16-21)31-18-19-6-3-2-4-7-19/h2-9,14-17,20,22H,10-13,18H2,1H3
InChIKeyZBZJPFDRPPLKCC-UHFFFAOYSA-N
XLogP5.65
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 141117026
8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763
3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67415806
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-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 59852819
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 67415833
[3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl] ethaneperoxoate
CID 87391185
[3-[3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-1-yl]cyclobutyl] 3,3-dimethylbutanoate
CID 90861392

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine (CID 141117028) is 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is COC1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3cnccn23)CC1.
What is the InChIKey of 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
The InChIKey is ZBZJPFDRPPLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-30-22-12-10-20(11-13-22)26-28-25(24-17-27-14-15-29(24)26)21-8-5-9-23(16-21)31-18-19-6-3-2-4-7-19/h2-9,14-17,20,22H,10-13,18H2,1H3.
What are the key properties of 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine?
3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine has a molecular weight of 413.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 141117028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).