3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine

C24H22N5+ — CID 87102449

IUPAC3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCC(C)C1=C2C=NC=C[N+]2(N)C(c2ccc3ccc(-c4ccccc4)nc3c2)=N1
InChIInChI=1S/C24H22N5/c1-16(2)23-22-15-26-12-13-29(22,25)24(28-23)19-9-8-18-10-11-20(27-21(18)14-19)17-6-4-3-5-7-17/h3-16H,25H2,1-2H3/q+1
InChIKeyGSEFRVNZYVKXPZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP4.78
Rot. Bonds3

About 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine

3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine (PubChem CID 87102449) has the molecular formula C24H22N5+ and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine.

Molecular Properties

Compound Name3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine
PubChem CID87102449
Molecular FormulaC24H22N5+
Molecular Weight380.48 g/mol
Exact Mass380.19
IUPAC Name3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine
SMILESCC(C)C1=C2C=NC=C[N+]2(N)C(c2ccc3ccc(-c4ccccc4)nc3c2)=N1
InChIInChI=1S/C24H22N5/c1-16(2)23-22-15-26-12-13-29(22,25)24(28-23)19-9-8-18-10-11-20(27-21(18)14-19)17-6-4-3-5-7-17/h3-16H,25H2,1-2H3/q+1
InChIKeyGSEFRVNZYVKXPZ-UHFFFAOYSA-N
XLogP4.78
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87102610
6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol
CID 87102548
1-[2-(aminomethyl)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87591718
1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87471035
1-[3-(2-methoxyethylamino)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101867
(3R)-1-[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]pyrrolidin-3-ol
CID 87470196
3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-(azetidin-1-ylmethyl)cyclobutan-1-ol
CID 87102691
[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]methyl 4-methylbenzenesulfonate
CID 87101952
4-[[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-hydroxycyclobutyl]methylamino]butanamide
CID 87111325
3-(4-methyl-2-phenylquinolin-7-yl)-1-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101949
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102483
4-[4-amino-3-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102824

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine?
The IUPAC name of 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine (CID 87102449) is 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine.
What is the SMILES notation for 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine?
The canonical SMILES for 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine is CC(C)C1=C2C=NC=C[N+]2(N)C(c2ccc3ccc(-c4ccccc4)nc3c2)=N1.
What is the InChIKey of 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine?
The InChIKey is GSEFRVNZYVKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N5/c1-16(2)23-22-15-26-12-13-29(22,25)24(28-23)19-9-8-18-10-11-20(27-21(18)14-19)17-6-4-3-5-7-17/h3-16H,25H2,1-2H3/q+1.
What are the key properties of 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine?
3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine has a molecular weight of 380.48 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine is sourced from PubChem (CID 87102449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).