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

C23H23N4O2+ — CID 91471356

IUPACN-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccccc1Oc1ccc(N(C2CCC2)[N+]23C=CN=CC2=CN=C3)cc1
InChIInChI=1S/C23H23N4O2/c1-28-22-7-2-3-8-23(22)29-21-11-9-19(10-12-21)26(18-5-4-6-18)27-14-13-24-15-20(27)16-25-17-27/h2-3,7-18H,4-6H2,1H3/q+1
InChIKeyJHUQFOHKASQYNZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.02
Rot. Bonds6

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

N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 91471356) has the molecular formula C23H23N4O2+ and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID91471356
Molecular FormulaC23H23N4O2+
Molecular Weight387.46 g/mol
Exact Mass387.18
IUPAC NameN-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCOc1ccccc1Oc1ccc(N(C2CCC2)[N+]23C=CN=CC2=CN=C3)cc1
InChIInChI=1S/C23H23N4O2/c1-28-22-7-2-3-8-23(22)29-21-11-9-19(10-12-21)26(18-5-4-6-18)27-14-13-24-15-20(27)16-25-17-27/h2-3,7-18H,4-6H2,1H3/q+1
InChIKeyJHUQFOHKASQYNZ-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-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 91409757
N-(2-methoxyphenyl)-N-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 90693100
N-cyclobutyl-N-imidazo[1,5-a]pyrazin-4-ium-4-yl-4-methyl-2-phenoxyquinolin-7-amine
CID 69304821
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N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
1-(bromomethyl)-4-(2-methoxyphenoxy)benzene
CID 107087191
4-[1-[imidazo[1,5-a]pyrazin-4-ium-4-yl-(2-phenylquinolin-7-yl)amino]cyclobutyl]morpholine-3-thiol
CID 123688947
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
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CID 42889996

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 91471356) is N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine is COc1ccccc1Oc1ccc(N(C2CCC2)[N+]23C=CN=CC2=CN=C3)cc1.
What is the InChIKey of N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is JHUQFOHKASQYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4O2/c1-28-22-7-2-3-8-23(22)29-21-11-9-19(10-12-21)26(18-5-4-6-18)27-14-13-24-15-20(27)16-25-17-27/h2-3,7-18H,4-6H2,1H3/q+1.
What are the key properties of N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine?
N-cyclobutyl-N-[4-(2-methoxyphenoxy)phenyl]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-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 91471356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).