N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

C23H23N4O2+ — CID 91069222

IUPACN-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1cc(Oc2ccccc2)ccc1N(C1CCC1)[N+]12C=CN=CC1=CN=C2
InChIInChI=1S/C23H23N4O2/c1-28-23-14-21(29-20-8-3-2-4-9-20)10-11-22(23)26(18-6-5-7-18)27-13-12-24-15-19(27)16-25-17-27/h2-4,8-18H,5-7H2,1H3/q+1
InChIKeyDRKVZDXWZBADLJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.02
Rot. Bonds6

About N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 91069222) has the molecular formula C23H23N4O2+ and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID91069222
Molecular FormulaC23H23N4O2+
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC NameN-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1cc(Oc2ccccc2)ccc1N(C1CCC1)[N+]12C=CN=CC1=CN=C2
InChIInChI=1S/C23H23N4O2/c1-28-23-14-21(29-20-8-3-2-4-9-20)10-11-22(23)26(18-6-5-7-18)27-13-12-24-15-19(27)16-25-17-27/h2-4,8-18H,5-7H2,1H3/q+1
InChIKeyDRKVZDXWZBADLJ-UHFFFAOYSA-N
XLogP5.02
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91471356
N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91600724
N-cyclobutyl-N-(3-methoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90894557
N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90693100
N-cyclobutyl-N-[4-(2-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91409757
N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
CID 69304821
N-cyclobutyl-N-[3-[(3,4,5-trifluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 123306926
N-[3-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]-N-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 123318326
N-[3-[4-(3-phenylphenoxy)phenyl]cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91106678
3-[4-amino-3-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-methylcyclobutan-1-ol
CID 87203022
(2-methoxy-4-phenoxyphenyl)hydrazine
CID 118138218
4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
CID 69357096

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 91069222) is N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is COc1cc(Oc2ccccc2)ccc1N(C1CCC1)[N+]12C=CN=CC1=CN=C2.
What is the InChIKey of N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is DRKVZDXWZBADLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4O2/c1-28-23-14-21(29-20-8-3-2-4-9-20)10-11-22(23)26(18-6-5-7-18)27-13-12-24-15-19(27)16-25-17-27/h2-4,8-18H,5-7H2,1H3/q+1.
What are the key properties of N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 387.46 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 91069222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).