3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C20H18ClN5O+2 — CID 58023309

IUPAC3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCc1c[nH+]c(CNC(=O)c2[nH]c(-c3cccc(Cl)c3)[n+]3ccccc23)cn1
InChIInChI=1S/C20H16ClN5O/c1-13-10-23-16(11-22-13)12-24-20(27)18-17-7-2-3-8-26(17)19(25-18)14-5-4-6-15(21)9-14/h2-11H,12H2,1H3,(H,24,27)/p+2
InChIKeyHEPFABMXFDJNJF-UHFFFAOYSA-P
MW379.85 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023309) has the molecular formula C20H18ClN5O+2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023309
Molecular FormulaC20H18ClN5O+2
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCc1c[nH+]c(CNC(=O)c2[nH]c(-c3cccc(Cl)c3)[n+]3ccccc23)cn1
InChIInChI=1S/C20H16ClN5O/c1-13-10-23-16(11-22-13)12-24-20(27)18-17-7-2-3-8-26(17)19(25-18)14-5-4-6-15(21)9-14/h2-11H,12H2,1H3,(H,24,27)/p+2
InChIKeyHEPFABMXFDJNJF-UHFFFAOYSA-P
XLogP2.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide 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-chlorophenyl)-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023303
3-(3-chlorophenyl)-N-isoquinolin-2-ium-5-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023740
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023816
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 58023825
1-(3-chlorophenyl)-N-(3,3-dimethylbutan-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58024028
1-(3-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58023569
1-[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanone
CID 58023873
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 56875169

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023309) is 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is Cc1c[nH+]c(CNC(=O)c2[nH]c(-c3cccc(Cl)c3)[n+]3ccccc23)cn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is HEPFABMXFDJNJF-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H16ClN5O/c1-13-10-23-16(11-22-13)12-24-20(27)18-17-7-2-3-8-26(17)19(25-18)14-5-4-6-15(21)9-14/h2-11H,12H2,1H3,(H,24,27)/p+2.
What are the key properties of 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).