3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide

C19H17F4N5O2S — CID 146456826

IUPAC3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC23CC(C2)C3F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H17F4N5O2S/c1-9-2-3-11(31(29,30)27-18-5-10(6-18)15(18)20)4-12(9)13-7-25-17-16(24)26-14(8-28(13)17)19(21,22)23/h2-4,7-8,10,15,27H,5-6H2,1H3,(H2,24,26)
InChIKeyPQEGPEYCCRIIMZ-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.08
Rot. Bonds4

About 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide

3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide (PubChem CID 146456826) has the molecular formula C19H17F4N5O2S and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
PubChem CID146456826
Molecular FormulaC19H17F4N5O2S
Molecular Weight455.44 g/mol
Exact Mass455.10
IUPAC Name3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC23CC(C2)C3F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C19H17F4N5O2S/c1-9-2-3-11(31(29,30)27-18-5-10(6-18)15(18)20)4-12(9)13-7-25-17-16(24)26-14(8-28(13)17)19(21,22)23/h2-4,7-8,10,15,27H,5-6H2,1H3,(H2,24,26)
InChIKeyPQEGPEYCCRIIMZ-UHFFFAOYSA-N
XLogP3.08
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146456825
[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 174242958
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[3-(imidazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 162328826
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
(2,2,2-trifluoroacetyl) 3-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfamoyl]bicyclo[1.1.1]pentane-1-carboxylate
CID 140831812
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
CID 138562354
3-(8-amino-6-methylimidazo[1,2-a]pyrazin-3-yl)-N-[3-(isocyanomethyl)-1-bicyclo[1.1.1]pentanyl]-4-(trideuteriomethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 162307843
[4-[[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-cyanophenyl]sulfonylamino]-1-bicyclo[2.1.1]hexanyl]methyl 2,2,2-trifluoroacetate
CID 138558159
4-[[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-6-methyl-3-pyridinyl]sulfanylamino]bicyclo[2.1.1]hexane-1-carbonitrile
CID 145425668
3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-N-(4-cyano-1-bicyclo[2.1.1]hexanyl)-4-methylbenzenesulfonamide
CID 154700435
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
CID 138562415

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide (CID 146456826) is 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC23CC(C2)C3F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide?
The InChIKey is PQEGPEYCCRIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2S/c1-9-2-3-11(31(29,30)27-18-5-10(6-18)15(18)20)4-12(9)13-7-25-17-16(24)26-14(8-28(13)17)19(21,22)23/h2-4,7-8,10,15,27H,5-6H2,1H3,(H2,24,26).
What are the key properties of 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide?
3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide has a molecular weight of 455.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-(2-fluoro-1-bicyclo[1.1.1]pentanyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 146456826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).