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

C25H23F6N7O4S — CID 162328826

IUPAC3-[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
SMILESCc1ccc(S(=O)(=O)NC23CC(Cn4ccnc4)(C2)C3)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22F3N7O2S.C2HF3O2/c1-14-2-3-15(36(34,35)31-22-9-21(10-22,11-22)12-32-5-4-28-13-32)6-16(14)17-7-29-20-19(27)30-18(8-33(17)20)23(24,25)26;3-2(4,5)1(6)7/h2-8,13,31H,9-12H2,1H3,(H2,27,30);(H,6,7)
InChIKeyNXBFHFSNAYPXBZ-UHFFFAOYSA-N
MW631.56 g/mol
LogP4.04
Rot. Bonds6

About 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

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 (PubChem CID 162328826) has the molecular formula C25H23F6N7O4S and a molecular weight of 631.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID162328826
Molecular FormulaC25H23F6N7O4S
Molecular Weight631.56 g/mol
Exact Mass631.14
IUPAC Name3-[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
SMILESCc1ccc(S(=O)(=O)NC23CC(Cn4ccnc4)(C2)C3)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H22F3N7O2S.C2HF3O2/c1-14-2-3-15(36(34,35)31-22-9-21(10-22,11-22)12-32-5-4-28-13-32)6-16(14)17-7-29-20-19(27)30-18(8-33(17)20)23(24,25)26;3-2(4,5)1(6)7/h2-8,13,31H,9-12H2,1H3,(H2,27,30);(H,6,7)
InChIKeyNXBFHFSNAYPXBZ-UHFFFAOYSA-N
XLogP4.04
TPSA157.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.56
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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-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
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
(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-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]sulfonyl-[3-(2H-tetrazol-5-yl)-1-bicyclo[1.1.1]pentanyl]amino] 2,2,2-trifluoroacetate
CID 174242947
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
[4-[[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-chlorophenyl]sulfonylamino]-1-bicyclo[2.1.1]hexanyl]methyl 2,2,2-trifluoroacetate
CID 138558135
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
N-[3-[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[1.1.1]pentanyl]acetamide;2,2,2-trifluoroacetic acid
CID 155210391
8-amino-N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166756579
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(S(=O)(=O)NC23CC(Cn4ccnc4)(C2)C3)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NXBFHFSNAYPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2S.C2HF3O2/c1-14-2-3-15(36(34,35)31-22-9-21(10-22,11-22)12-32-5-4-28-13-32)6-16(14)17-7-29-20-19(27)30-18(8-33(17)20)23(24,25)26;3-2(4,5)1(6)7/h2-8,13,31H,9-12H2,1H3,(H2,27,30);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 631.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-[3-(imidazol-1-ylmethyl)-1-bicyclo[1.1.1]pentanyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162328826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).