3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C26H28N4O2 — CID 67415806

IUPAC3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCCNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C26H28N4O2/c1-31-16-14-28-25-24-23(29-26(20-9-5-10-20)30(24)15-13-27-25)21-11-6-12-22(17-21)32-18-19-7-3-2-4-8-19/h2-4,6-8,11-13,15,17,20H,5,9-10,14,16,18H2,1H3,(H,27,28)
InChIKeyGFBQKLUKIWDDRV-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.30
Rot. Bonds9

About 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 67415806) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID67415806
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCCNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C26H28N4O2/c1-31-16-14-28-25-24-23(29-26(20-9-5-10-20)30(24)15-13-27-25)21-11-6-12-22(17-21)32-18-19-7-3-2-4-8-19/h2-4,6-8,11-13,15,17,20H,5,9-10,14,16,18H2,1H3,(H,27,28)
InChIKeyGFBQKLUKIWDDRV-UHFFFAOYSA-N
XLogP5.30
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-N,N-diethyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417761
8-chloro-3-(1-methylpiperidin-4-yl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazine
CID 59852763
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 59852819
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
3-cyclobutyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416841
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 67415806) is 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is COCCNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GFBQKLUKIWDDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-31-16-14-28-25-24-23(29-26(20-9-5-10-20)30(24)15-13-27-25)21-11-6-12-22(17-21)32-18-19-7-3-2-4-8-19/h2-4,6-8,11-13,15,17,20H,5,9-10,14,16,18H2,1H3,(H,27,28).
What are the key properties of 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 428.54 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(2-methoxyethyl)-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 67415806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).