1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

C29H34N5O+ — CID 87391197

IUPAC1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCC1CCCN1CC1CC(C2=C3C=NC=C[N+]3(N)C(c3cccc(OCc4ccccc4)c3)=N2)C1
InChIInChI=1S/C29H34N5O/c1-21-7-6-13-33(21)19-23-15-25(16-23)28-27-18-31-12-14-34(27,30)29(32-28)24-10-5-11-26(17-24)35-20-22-8-3-2-4-9-22/h2-5,8-12,14,17-18,21,23,25H,6-7,13,15-16,19-20,30H2,1H3/q+1
InChIKeyQRFQBFVIQOSVFC-UHFFFAOYSA-N
MW468.63 g/mol
LogP4.99
Rot. Bonds7

About 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine

1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 87391197) has the molecular formula C29H34N5O+ and a molecular weight of 468.63 g/mol. Its IUPAC name is 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound Name1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID87391197
Molecular FormulaC29H34N5O+
Molecular Weight468.63 g/mol
Exact Mass468.28
IUPAC Name1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCC1CCCN1CC1CC(C2=C3C=NC=C[N+]3(N)C(c3cccc(OCc4ccccc4)c3)=N2)C1
InChIInChI=1S/C29H34N5O/c1-21-7-6-13-33(21)19-23-15-25(16-23)28-27-18-31-12-14-34(27,30)29(32-28)24-10-5-11-26(17-24)35-20-22-8-3-2-4-9-22/h2-5,8-12,14,17-18,21,23,25H,6-7,13,15-16,19-20,30H2,1H3/q+1
InChIKeyQRFQBFVIQOSVFC-UHFFFAOYSA-N
XLogP4.99
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-phenylmethoxyphenyl)-1-[3-[(propan-2-ylamino)methyl]cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87391861
1-[4-[(benzylamino)methyl]cyclohexyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87391716
3-(3-phenylmethoxyphenyl)-1-[4-(propylaminomethyl)cyclohexyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87391283
N'-[[4-[4-amino-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 87391530
[4-[4-amino-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexyl]-(4-methylpiperazin-1-yl)methanone
CID 87391163
4-[4-amino-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-N-cyclopropylcyclohexane-1-carboxamide
CID 87391399
1-benzyl-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87390899
4-amino-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-carboxamide
CID 87539151
[3-[4-amino-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-1-yl]phenyl]methanol
CID 87391179
1-(3-methylcyclobutyl)-3-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87202947
4-[4-amino-3-[3-[(2,6-difluorophenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-4-ium-1-yl]-N-methylcyclohexane-1-carboxamide
CID 87391245
3-[4-amino-3-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-methylcyclobutan-1-ol
CID 87244215

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine (CID 87391197) is 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is CC1CCCN1CC1CC(C2=C3C=NC=C[N+]3(N)C(c3cccc(OCc4ccccc4)c3)=N2)C1.
What is the InChIKey of 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is QRFQBFVIQOSVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N5O/c1-21-7-6-13-33(21)19-23-15-25(16-23)28-27-18-31-12-14-34(27,30)29(32-28)24-10-5-11-26(17-24)35-20-22-8-3-2-4-9-22/h2-5,8-12,14,17-18,21,23,25H,6-7,13,15-16,19-20,30H2,1H3/q+1.
What are the key properties of 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine?
1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 468.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]-3-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 87391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).