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

C22H23F3N8O5S — CID 155210391

IUPACN-[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
SMILESCC(=O)NC12CC(NS(=O)(=O)c3ccc(C)c(-c4cnc(N)c(-n5cncn5)n4)c3)(C1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N8O3S.C2HF3O2/c1-12-3-4-14(32(30,31)27-20-7-19(8-20,9-20)26-13(2)29)5-15(12)16-6-23-17(21)18(25-16)28-11-22-10-24-28;3-2(4,5)1(6)7/h3-6,10-11,27H,7-9H2,1-2H3,(H2,21,23)(H,26,29);(H,6,7)
InChIKeyJTHRQWSSNWDALU-UHFFFAOYSA-N
MW568.54 g/mol
LogP1.34
Rot. Bonds6

About 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

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 (PubChem CID 155210391) has the molecular formula C22H23F3N8O5S and a molecular weight of 568.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155210391
Molecular FormulaC22H23F3N8O5S
Molecular Weight568.54 g/mol
Exact Mass568.15
IUPAC NameN-[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
SMILESCC(=O)NC12CC(NS(=O)(=O)c3ccc(C)c(-c4cnc(N)c(-n5cncn5)n4)c3)(C1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N8O3S.C2HF3O2/c1-12-3-4-14(32(30,31)27-20-7-19(8-20,9-20)26-13(2)29)5-15(12)16-6-23-17(21)18(25-16)28-11-22-10-24-28;3-2(4,5)1(6)7/h3-6,10-11,27H,7-9H2,1-2H3,(H2,21,23)(H,26,29);(H,6,7)
InChIKeyJTHRQWSSNWDALU-UHFFFAOYSA-N
XLogP1.34
TPSA195.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.54
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC12CC(NS(=O)(=O)c3ccc(C)c(-c4cnc(N)c(-n5cncn5)n4)c3)(C1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is JTHRQWSSNWDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3S.C2HF3O2/c1-12-3-4-14(32(30,31)27-20-7-19(8-20,9-20)26-13(2)29)5-15(12)16-6-23-17(21)18(25-16)28-11-22-10-24-28;3-2(4,5)1(6)7/h3-6,10-11,27H,7-9H2,1-2H3,(H2,21,23)(H,26,29);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 568.54 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155210391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).