3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline

C12H13FN4O2S — CID 63322328

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
SMILESNc1cc(F)cc(S(=O)(=O)N2CCn3ccnc3C2)c1
InChIInChI=1S/C12H13FN4O2S/c13-9-5-10(14)7-11(6-9)20(18,19)17-4-3-16-2-1-15-12(16)8-17/h1-2,5-7H,3-4,8,14H2
InChIKeyJWBPRDPCTFANOI-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.81
Rot. Bonds2

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline (PubChem CID 63322328) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
PubChem CID63322328
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
SMILESNc1cc(F)cc(S(=O)(=O)N2CCn3ccnc3C2)c1
InChIInChI=1S/C12H13FN4O2S/c13-9-5-10(14)7-11(6-9)20(18,19)17-4-3-16-2-1-15-12(16)8-17/h1-2,5-7H,3-4,8,14H2
InChIKeyJWBPRDPCTFANOI-UHFFFAOYSA-N
XLogP0.81
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline 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

N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzenesulfonamide
CID 2952423
4-{[(1H-imidazol-2-yl)methylidene]amino}benzene-1-sulfonamide
CID 135411191
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 16195005
1-[3-(Dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropyl)thiourea
CID 3968679
1-(4-fluorophenyl)-4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperazine
CID 2812668
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulonamide
CID 2814215
Benzenesulfonamide, 4-amino-N-(1-(2-(dimethylamino)ethyl)-1H-imidazol-2-yl)-
CID 3054839
Benzenesulfonamide, 4-amino-N-(1-butyl-1H-imidazol-2-yl)-
CID 3054840
1-(4-Imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
CID 14664372
1,2-Dimethyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 16029211
1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 16029215
4-fluoro-N-({imidazo[1,2-a]pyridin-2-yl}methyl)benzene-1-sulfonamide
CID 3608963

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline (CID 63322328) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline is Nc1cc(F)cc(S(=O)(=O)N2CCn3ccnc3C2)c1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline?
The InChIKey is JWBPRDPCTFANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c13-9-5-10(14)7-11(6-9)20(18,19)17-4-3-16-2-1-15-12(16)8-17/h1-2,5-7H,3-4,8,14H2.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline has a molecular weight of 296.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline is sourced from PubChem (CID 63322328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).