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

C26H23N4O+ — CID 91600724

IUPACN-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESC1=C[N+]2(N(c3ccc(Oc4ccc5ccccc5c4)cc3)C3CCC3)C=NC=C2C=N1
InChIInChI=1S/C26H23N4O/c1-2-5-21-16-26(11-8-20(21)4-1)31-25-12-9-23(10-13-25)29(22-6-3-7-22)30-15-14-27-17-24(30)18-28-19-30/h1-2,4-5,8-19,22H,3,6-7H2/q+1
InChIKeyMNTUMZYEJCTVOU-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.16
Rot. Bonds5

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

N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 91600724) has the molecular formula C26H23N4O+ and a molecular weight of 407.50 g/mol. Its IUPAC name is N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID91600724
Molecular FormulaC26H23N4O+
Molecular Weight407.50 g/mol
Exact Mass407.19
IUPAC NameN-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESC1=C[N+]2(N(c3ccc(Oc4ccc5ccccc5c4)cc3)C3CCC3)C=NC=C2C=N1
InChIInChI=1S/C26H23N4O/c1-2-5-21-16-26(11-8-20(21)4-1)31-25-12-9-23(10-13-25)29(22-6-3-7-22)30-15-14-27-17-24(30)18-28-19-30/h1-2,4-5,8-19,22H,3,6-7H2/q+1
InChIKeyMNTUMZYEJCTVOU-UHFFFAOYSA-N
XLogP6.16
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-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
4-[1-[imidazo[1,5-a]pyrazin-4-ium-4-yl-(2-phenylquinolin-7-yl)amino]cyclobutyl]morpholine-3-thiol
CID 123688947
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6974630
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide
CID 27191176
2-(4-isocyanophenoxy)naphthalene
CID 58104528
2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
CID 141169012
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
trans-dinaphthalen-2-yl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 101049037

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 91600724) is N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is C1=C[N+]2(N(c3ccc(Oc4ccc5ccccc5c4)cc3)C3CCC3)C=NC=C2C=N1.
What is the InChIKey of N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is MNTUMZYEJCTVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N4O/c1-2-5-21-16-26(11-8-20(21)4-1)31-25-12-9-23(10-13-25)29(22-6-3-7-22)30-15-14-27-17-24(30)18-28-19-30/h1-2,4-5,8-19,22H,3,6-7H2/q+1.
What are the key properties of N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 407.50 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(4-naphthalen-2-yloxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 91600724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).